cif
stringlengths 674
4.09k
| formula
stringlengths 1
20
| spacegroup
stringlengths 2
10
| spacegroup_number
int64 1
230
| crystal_system
stringclasses 7
values | pointgroup
stringlengths 1
5
| density
float64 91.6
41.4k
| is_longer_than_allowed
bool 2
classes |
|---|---|---|---|---|---|---|---|
[CIF]
data_Zn2SnSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.50070541
_cell_length_b 7.50070541
_cell_length_c 7.50070541
_cell_angle_alpha 148.75831629
_cell_angle_beta 148.75831629
_cell_angle_gamma 44.76717406
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn2SnSe2
_chemical_formula_sum 'Zn2 Sn1 Se2'
_cell_volume 113.16772285
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Se Se0 1 0.00000000 0.00000000 8.77078160 1
Se Se1 1 0.00000000 -0.00000000 5.10035028 1
Sn Sn2 1 0.00000000 0.00000000 0.00000000 1
Zn Zn3 1 0.00000000 2.01971616 3.46778297 1
Zn Zn4 1 2.01971616 -0.00000000 3.46778297 1
[/CIF]
| Se2SnZn2 | I4/mmm | 139 | tetragonal | 4/mmm | 5,977.738116 | false |
[CIF]
data_Ba2SrCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08971246
_cell_length_b 4.08971246
_cell_length_c 11.08506702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2SrCl
_chemical_formula_sum 'Ba2 Sr1 Cl1'
_cell_volume 185.40603805
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 2.04485623 2.04485623 8.87209202 1
Ba Ba1 1 2.04485623 2.04485623 2.21297500 1
Cl Cl2 1 0.00000000 0.00000000 0.00000000 1
Sr Sr3 1 0.00000000 0.00000000 5.54253351 1
[/CIF]
| Ba2ClSr | P4/mmm | 123 | tetragonal | 4/mmm | 3,562.13439 | false |
[CIF]
data_Mn2VBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.88436722
_cell_length_b 2.88436722
_cell_length_c 6.55216260
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2VBr
_chemical_formula_sum 'Mn2 V1 Br1'
_cell_volume 54.51120331
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 1.44218361 1.44218361 4.81765046 1
Mn Mn1 1 0.00000000 0.00000000 0.31535500 1
Mn Mn2 1 1.44218361 1.44218361 1.52759904 1
V V3 1 0.00000000 0.00000000 3.16763941 1
[/CIF]
| BrMn2V | P4mm | 99 | tetragonal | 4mm | 7,332.944057 | false |
[CIF]
data_LaHg2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27727643
_cell_length_b 4.39066294
_cell_length_c 4.83155147
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaHg2Mo
_chemical_formula_sum 'La1 Hg2 Mo1'
_cell_volume 90.73691881
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 0.00000000 2.19533147 2.41577573 1
Hg Hg1 1 2.13863821 0.00000000 2.41577573 1
La La2 1 2.13863821 2.19533147 0.00000000 1
Mo Mo3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Hg2LaMo | Pmmm | 47 | orthorhombic | mmm | 11,640.00679 | false |
[CIF]
data_NaCuSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45324203
_cell_length_b 4.45324203
_cell_length_c 7.05228224
_cell_angle_alpha 100.78194165
_cell_angle_beta 100.78194165
_cell_angle_gamma 45.35183926
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaCuSn2
_chemical_formula_sum 'Na1 Cu1 Sn2'
_cell_volume 97.43239791
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 3.39410418 0.00000000 3.45290960 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Sn Sn2 1 0.95952377 0.00000000 4.69925783 1
Sn Sn3 1 5.82868459 0.00000000 2.20656137 1
[/CIF]
| CuNaSn2 | C2/m | 12 | monoclinic | 2/m | 5,521.173883 | false |
[CIF]
data_Fe3W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92599581
_cell_length_b 2.92599581
_cell_length_c 5.88006147
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe3W
_chemical_formula_sum 'Fe3 W1'
_cell_volume 50.34186098
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 1.46299790 1.46299790 4.50262232 1
Fe Fe1 1 1.46299790 1.46299790 1.37743915 1
Fe Fe2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 0.00000000 0.00000000 2.94003074 1
[/CIF]
| Fe3W | P4/mmm | 123 | tetragonal | 4/mmm | 11,590.193593 | false |
[CIF]
data_MnVWAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37907848
_cell_length_b 4.37907848
_cell_length_c 4.37907848
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnVWAu
_chemical_formula_sum 'Mn1 V1 W1 Au1'
_cell_volume 59.37904224
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 4.64471414 4.64471414 4.64471414 1
Mn Mn1 1 1.54823805 1.54823805 1.54823805 1
V V2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 3.09647609 3.09647609 3.09647609 1
[/CIF]
| AuMnVW | F-43m | 216 | cubic | -43m | 13,610.211196 | false |
[CIF]
data_LaTa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99935385
_cell_length_b 5.99935385
_cell_length_c 8.33510090
_cell_angle_alpha 92.23343129
_cell_angle_beta 92.23343129
_cell_angle_gamma 29.10049725
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaTa2
_chemical_formula_sum 'La2 Ta4'
_cell_volume 145.78410121
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La La0 1 10.96398752 -0.00000000 0.08240478 1
La La1 1 8.00073804 -0.00000000 2.49038358 1
Ta Ta2 1 5.05828141 -0.00000000 3.14927348 1
Ta Ta3 1 0.49028224 -0.00000000 5.24498191 1
Ta Ta4 1 3.61599071 -0.00000000 5.45930539 1
Ta Ta5 1 7.69717478 -0.00000000 7.17062084 1
[/CIF]
| La2Ta4 | Cm | 8 | monoclinic | m | 11,408.651562 | false |
[CIF]
data_Hf2TiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06302473
_cell_length_b 5.06302473
_cell_length_c 5.06302473
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2TiPb
_chemical_formula_sum 'Hf2 Ti1 Pb1'
_cell_volume 91.77304638
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 1.79004956 1.79004956 1.79004956 1
Hf Hf1 1 3.58009912 3.58009912 3.58009912 1
Pb Pb2 1 5.37014868 5.37014868 5.37014868 1
Ti Ti3 1 -0.00000000 -0.00000000 0.00000000 1
[/CIF]
| Hf2PbTi | F-43m | 216 | cubic | -43m | 11,074.362181 | false |
[CIF]
data_Cd4AgRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53668074
_cell_length_b 5.53668074
_cell_length_c 5.53668074
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd4AgRh
_chemical_formula_sum 'Cd4 Ag1 Rh1'
_cell_volume 120.01442487
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 1.95751225 1.95751225 1.95751225 1
Cd Cd1 1 2.93460209 2.93460209 4.89544691 1
Cd Cd2 1 2.93460209 4.89544691 2.93460209 1
Cd Cd3 1 4.89544691 2.93460209 2.93460209 1
Cd Cd4 1 4.89544691 4.89544691 4.89544691 1
Rh Rh5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgCd4Rh | F-43m | 216 | cubic | -43m | 9,137.646515 | false |
[CIF]
data_LiTcSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64068477
_cell_length_b 3.64068477
_cell_length_c 5.59030790
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiTcSn2
_chemical_formula_sum 'Li1 Tc1 Sn2'
_cell_volume 74.09721456
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 0.00000000 0.00000000 4.20619155 1
Sn Sn1 1 1.82034239 1.82034239 5.42220438 1
Sn Sn2 1 0.00000000 0.00000000 1.62687419 1
Tc Tc3 1 1.82034239 1.82034239 2.72049964 1
[/CIF]
| LiSn2Tc | P4mm | 99 | tetragonal | 4mm | 7,692.712867 | false |
[CIF]
data_BeReRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22644987
_cell_length_b 4.22644987
_cell_length_c 4.22644987
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeReRh2
_chemical_formula_sum 'Be1 Re1 Rh2'
_cell_volume 53.38412972
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Re Re1 1 4.48282704 4.48282704 4.48282704 1
Rh Rh2 1 2.98855136 2.98855136 2.98855136 1
Rh Rh3 1 1.49427568 1.49427568 1.49427568 1
[/CIF]
| BeReRh2 | F-43m | 216 | cubic | -43m | 12,474.23696 | false |
[CIF]
data_FeAg2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90678303
_cell_length_b 4.90678303
_cell_length_c 2.72342216
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeAg2Mo
_chemical_formula_sum 'Fe1 Ag2 Mo1'
_cell_volume 65.57052730
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 2.45339151 0.00000000 1.36171108 1
Ag Ag1 1 0.00000000 2.45339151 1.36171108 1
Fe Fe2 1 0.00000000 0.00000000 0.00000000 1
Mo Mo3 1 2.45339151 2.45339151 0.00000000 1
[/CIF]
| Ag2FeMo | P4/mmm | 123 | tetragonal | 4/mmm | 9,307.792364 | false |
[CIF]
data_KSnAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18031775
_cell_length_b 4.18031775
_cell_length_c 12.96153900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KSnAs
_chemical_formula_sum 'K2 Sn2 As2'
_cell_volume 196.15789410
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 2.09015887 1.20675379 6.42563111 1
K K1 1 -0.00000000 2.41350758 12.90640061 1
Sn Sn2 1 0.00000000 0.00000000 10.06160203 1
Sn Sn3 1 0.00000000 0.00000000 3.58083253 1
As As4 1 2.09015887 1.20675379 2.24348686 1
As As5 1 -0.00000000 2.41350758 8.72425636 1
[/CIF]
| As2K2Sn2 | P6_3mc | 186 | hexagonal | 6mm | 3,940.265655 | false |
[CIF]
data_BaMnGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33051365
_cell_length_b 4.33051365
_cell_length_c 6.36194704
_cell_angle_alpha 106.35020264
_cell_angle_beta 106.35020264
_cell_angle_gamma 53.26277433
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaMnGe2
_chemical_formula_sum 'Ba1 Mn1 Ge2'
_cell_volume 90.74693190
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 2.86933991 0.00000000 3.01912249 1
Ge Ge1 1 5.28961693 0.00000000 0.70922895 1
Ge Ge2 1 0.44906289 0.00000000 5.32901604 1
Mn Mn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaGe2Mn | C2/m | 12 | monoclinic | 2/m | 6,176.591563 | false |
[CIF]
data_KHfAgRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87335051
_cell_length_b 4.87335051
_cell_length_c 4.87335051
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KHfAgRu
_chemical_formula_sum 'K1 Hf1 Ag1 Ru1'
_cell_volume 81.84043838
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 5.16896879 5.16896879 5.16896879 1
Hf Hf1 1 3.44597919 3.44597919 3.44597919 1
K K2 1 0.00000000 0.00000000 0.00000000 1
Ru Ru3 1 1.72298960 1.72298960 1.72298960 1
[/CIF]
| AgHfKRu | F-43m | 216 | cubic | -43m | 8,654.204819 | false |
[CIF]
data_YScIrSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80241527
_cell_length_b 4.80241527
_cell_length_c 4.80241527
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YScIrSe
_chemical_formula_sum 'Y1 Sc1 Ir1 Se1'
_cell_volume 78.31845937
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Se Se0 1 1.69791020 1.69791020 1.69791020 1
Sc Sc1 1 0.00000000 0.00000000 0.00000000 1
Y Y2 1 5.09373060 5.09373060 5.09373060 1
Ir Ir3 1 3.39582040 3.39582040 3.39582040 1
[/CIF]
| IrScSeY | F-43m | 216 | cubic | -43m | 8,587.792625 | false |
[CIF]
data_KVReMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57029239
_cell_length_b 4.57029239
_cell_length_c 4.57029239
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KVReMo
_chemical_formula_sum 'K1 V1 Re1 Mo1'
_cell_volume 67.50204936
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 0.00000000 0.00000000 0.00000000 1
Mo Mo1 1 4.84752711 4.84752711 4.84752711 1
Re Re2 1 1.61584237 1.61584237 1.61584237 1
V V3 1 3.23168474 3.23168474 3.23168474 1
[/CIF]
| KMoReV | F-43m | 216 | cubic | -43m | 9,156.224709 | false |
[CIF]
data_LiLa4P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41053247
_cell_length_b 6.41053247
_cell_length_c 6.41053247
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiLa4P
_chemical_formula_sum 'Li1 La4 P1'
_cell_volume 186.28046563
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La La0 1 3.42313693 3.42313693 5.64272503 1
La La1 1 3.42313693 5.64272503 3.42313693 1
La La2 1 5.64272503 3.42313693 3.42313693 1
La La3 1 5.64272503 5.64272503 5.64272503 1
Li Li4 1 0.00000000 0.00000000 0.00000000 1
P P5 1 2.26646549 2.26646549 2.26646549 1
[/CIF]
| La4LiP | F-43m | 216 | cubic | -43m | 5,290.897133 | false |
[CIF]
data_NaTa2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81344763
_cell_length_b 5.81344763
_cell_length_c 5.81344763
_cell_angle_alpha 140.43852094
_cell_angle_beta 140.43852094
_cell_angle_gamma 57.18806863
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaTa2Cd
_chemical_formula_sum 'Na1 Ta2 Cd1'
_cell_volume 79.02931540
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 0.00000000 -0.00000000 5.10439777 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Ta Ta2 1 1.96739634 -0.00000000 2.55219889 1
Ta Ta3 1 0.00000000 1.96739634 2.55219889 1
[/CIF]
| CdNaTa2 | I4/mmm | 139 | tetragonal | 4/mmm | 10,449.037934 | false |
[CIF]
data_TiCo2Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.55905578
_cell_length_b 2.55905578
_cell_length_c 7.88333414
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 103.98476358
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiCo2Cu
_chemical_formula_sum 'Ti1 Co2 Cu1'
_cell_volume 50.09591761
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 1.57578017 0.00000000 2.00326541 1
Co Co1 1 1.57578017 0.00000000 5.88006873 1
Cu Cu2 1 0.00000000 0.00000000 3.94166707 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Co2CuTi | Cmmm | 65 | orthorhombic | mmm | 7,599.968269 | false |
[CIF]
data_Ag3TeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90608294
_cell_length_b 4.90608294
_cell_length_c 4.90608294
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag3TeS
_chemical_formula_sum 'Ag3 Te1 S1'
_cell_volume 118.08769833
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
S S0 1 0.00000000 0.00000000 0.00000000 1
Te Te1 1 2.45304147 2.45304147 2.45304147 1
Ag Ag2 1 0.00000000 2.45304147 0.00000000 1
Ag Ag3 1 0.00000000 0.00000000 2.45304147 1
Ag Ag4 1 2.45304147 0.00000000 0.00000000 1
[/CIF]
| Ag3STe | Pm-3m | 221 | cubic | m-3m | 6,795.695588 | false |
[CIF]
data_SmPa2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12643716
_cell_length_b 5.12643716
_cell_length_c 5.12643716
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SmPa2Mo
_chemical_formula_sum 'Sm1 Pa2 Mo1'
_cell_volume 95.26468063
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo Mo0 1 0.00000000 0.00000000 0.00000000 1
Pa Pa1 1 5.43740772 5.43740772 5.43740772 1
Pa Pa2 1 1.81246924 1.81246924 1.81246924 1
Sm Sm3 1 3.62493848 3.62493848 3.62493848 1
[/CIF]
| MoPa2Sm | Fm-3m | 225 | cubic | m-3m | 12,347.83116 | false |
[CIF]
data_LiYTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33956685
_cell_length_b 5.33956685
_cell_length_c 5.33956685
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiYTe2
_chemical_formula_sum 'Li1 Y1 Te2'
_cell_volume 107.64728657
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 0.00000000 0.00000000 0.00000000 1
Te Te1 1 5.66346590 5.66346590 5.66346590 1
Te Te2 1 1.88782196 1.88782197 1.88782197 1
Y Y3 1 3.77564393 3.77564393 3.77564393 1
[/CIF]
| LiTe2Y | Fm-3m | 225 | cubic | m-3m | 5,415.157476 | false |
[CIF]
data_Zr2ScV
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85791870
_cell_length_b 5.85791870
_cell_length_c 4.94112881
_cell_angle_alpha 114.09844094
_cell_angle_beta 114.09844094
_cell_angle_gamma 33.91825356
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2ScV
_chemical_formula_sum 'Zr2 Sc1 V1'
_cell_volume 85.56053563
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc Sc0 1 4.77810801 -0.00000000 2.39608338 1
V V1 1 1.27541240 -0.00000000 3.30069209 1
Zr Zr2 1 8.80702826 -0.00000000 4.37812297 1
Zr Zr3 1 7.88229588 -0.00000000 1.09592588 1
[/CIF]
| ScVZr2 | Cm | 8 | monoclinic | m | 5,402.063314 | false |
[CIF]
data_TlCu2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18185302
_cell_length_b 3.18185302
_cell_length_c 7.09967992
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 94.80101031
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlCu2Ge
_chemical_formula_sum 'Tl1 Cu2 Ge1'
_cell_volume 71.62630483
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 2.15369920 0.00000000 5.72307683 1
Cu Cu1 1 2.15369920 0.00000000 1.37660309 1
Ge Ge2 1 0.00000000 0.00000000 0.00000000 1
Tl Tl3 1 0.00000000 0.00000000 3.54983996 1
[/CIF]
| Cu2GeTl | Cmmm | 65 | orthorhombic | mmm | 9,368.754184 | false |
[CIF]
data_NbAgIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05031301
_cell_length_b 5.05031301
_cell_length_c 5.05031301
_cell_angle_alpha 140.84446197
_cell_angle_beta 140.84446197
_cell_angle_gamma 56.57332004
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbAgIr
_chemical_formula_sum 'Nb1 Ag1 Ir1'
_cell_volume 50.94483080
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 0.00000000 0.00000000 8.88791314 1
Ir Ir1 1 0.00000000 -0.00000000 2.82945519 1
Nb Nb2 1 0.00000000 0.00000000 6.07160595 1
[/CIF]
| AgIrNb | I4mm | 107 | tetragonal | 4mm | 12,809.501203 | false |
[CIF]
data_Sr2MgIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81146159
_cell_length_b 5.81146159
_cell_length_c 5.81146159
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2MgIn
_chemical_formula_sum 'Sr2 Mg1 In1'
_cell_volume 138.78454878
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 4.10932390 4.10932390 4.10932390 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Sr Sr2 1 2.05466195 2.05466195 2.05466195 1
Sr Sr3 1 6.16398585 6.16398585 6.16398585 1
[/CIF]
| InMgSr2 | Fm-3m | 225 | cubic | m-3m | 3,761.312388 | false |
[CIF]
data_KHf2Tc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89237052
_cell_length_b 4.89237052
_cell_length_c 3.51164404
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KHf2Tc
_chemical_formula_sum 'K1 Hf2 Tc1'
_cell_volume 84.05221603
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 2.44618526 0.00000000 1.75582202 1
Hf Hf1 1 0.00000000 2.44618526 1.75582202 1
K K2 1 0.00000000 0.00000000 0.00000000 1
Tc Tc3 1 2.44618526 2.44618526 0.00000000 1
[/CIF]
| Hf2KTc | P4/mmm | 123 | tetragonal | 4/mmm | 9,778.934315 | false |
[CIF]
data_BPb2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38659537
_cell_length_b 5.38659537
_cell_length_c 3.46261336
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BPb2Br
_chemical_formula_sum 'B1 Pb2 Br1'
_cell_volume 100.46914520
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 0.00000000 0.00000000 0.00000000 1
Br Br1 1 2.69329769 2.69329769 0.00000000 1
Pb Pb2 1 2.69329769 0.00000000 1.73130668 1
Pb Pb3 1 0.00000000 2.69329769 1.73130668 1
[/CIF]
| BBrPb2 | P4/mmm | 123 | tetragonal | 4/mmm | 8,348.465481 | false |
[CIF]
data_Li2SnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82899579
_cell_length_b 4.82899579
_cell_length_c 3.33568074
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2SnHg
_chemical_formula_sum 'Li2 Sn1 Hg1'
_cell_volume 77.78540745
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 2.41449790 2.41449790 0.00000000 1
Li Li1 1 2.41449790 0.00000000 1.66784037 1
Li Li2 1 0.00000000 2.41449790 1.66784037 1
Sn Sn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HgLi2Sn | P4/mmm | 123 | tetragonal | 4/mmm | 7,112.667343 | false |
[CIF]
data_Ti2PtO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15152630
_cell_length_b 6.15152630
_cell_length_c 6.15152630
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2PtO4
_chemical_formula_sum 'Ti4 Pt2 O8'
_cell_volume 164.60145016
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
O O0 1 3.42197058 3.42197058 3.42197058 1
O O1 1 3.42197058 5.27760134 5.27760134 1
O O2 1 5.27760134 3.42197058 5.27760134 1
O O3 1 5.59686356 5.59686356 7.45249432 1
O O4 1 5.27760134 5.27760134 3.42197058 1
O O5 1 5.59686356 7.45249432 5.59686356 1
O O6 1 7.45249432 7.45249432 7.45249432 1
O O7 1 7.45249432 5.59686356 5.59686356 1
Pt Pt8 1 0.00000000 0.00000000 0.00000000 1
Pt Pt9 1 2.17489298 2.17489298 2.17489298 1
Ti Ti10 1 3.26233947 3.26233947 5.43723245 1
Ti Ti11 1 3.26233947 5.43723245 3.26233947 1
Ti Ti12 1 5.43723245 3.26233947 3.26233947 1
Ti Ti13 1 5.43723245 5.43723245 5.43723245 1
[/CIF]
| O8Pt2Ti4 | Fd-3m | 227 | cubic | m-3m | 7,158.930645 | false |
[CIF]
data_GaHg2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.67113096
_cell_length_b 9.67113096
_cell_length_c 9.67113096
_cell_angle_alpha 18.26154943
_cell_angle_beta 18.26154943
_cell_angle_gamma 18.26154943
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaHg2Ru
_chemical_formula_sum 'Ga1 Hg2 Ru1'
_cell_volume 77.57051083
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 -0.00000000 -0.00000000 -0.00000000 1
Hg Hg1 1 -0.00000000 -0.00000000 7.01012703 1
Hg Hg2 1 0.00000000 0.00000000 21.51203018 1
Ru Ru3 1 0.00000000 0.00000000 14.26107860 1
[/CIF]
| GaHg2Ru | R-3m | 166 | trigonal | -3m | 12,244.131205 | false |
[CIF]
data_MnNb2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.85179236
_cell_length_b 2.85179236
_cell_length_c 8.18771201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 108.42565269
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnNb2Ge
_chemical_formula_sum 'Mn1 Nb2 Ge1'
_cell_volume 63.17468697
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 1.66766000 -0.00000000 3.91186012 1
Mn Mn1 1 0.00000000 0.00000000 2.12473739 1
Nb Nb2 1 1.66766000 -0.00000000 0.19453807 1
Nb Nb3 1 0.00000000 0.00000000 6.05043244 1
[/CIF]
| GeMnNb2 | Cmm2 | 35 | orthorhombic | mm2 | 8,237.439705 | false |
[CIF]
data_MgIn2Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45530874
_cell_length_b 3.45530874
_cell_length_c 6.36292096
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgIn2Fe
_chemical_formula_sum 'Mg1 In2 Fe1'
_cell_volume 75.96792179
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 1.72765437 1.72765437 4.76998183 1
In In1 1 0.00000000 0.00000000 6.08947615 1
In In2 1 1.72765437 1.72765437 1.66402625 1
Mg Mg3 1 0.00000000 0.00000000 3.38381823 1
[/CIF]
| FeIn2Mg | P4mm | 99 | tetragonal | 4mm | 6,771.433826 | false |
[CIF]
data_MgRe2Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09290026
_cell_length_b 5.09290026
_cell_length_c 5.14870888
_cell_angle_alpha 99.69403187
_cell_angle_beta 99.69403187
_cell_angle_gamma 38.72167465
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgRe2Bi
_chemical_formula_sum 'Mg1 Re2 Bi1'
_cell_volume 82.19633604
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 4.34542373 -0.00000000 2.53301950 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Re Re2 1 7.06646866 -0.00000000 0.84322871 1
Re Re3 1 1.62437881 0.00000000 4.22281028 1
[/CIF]
| BiMgRe2 | C2/m | 12 | monoclinic | 2/m | 12,236.403284 | false |
[CIF]
data_BiAsRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29852729
_cell_length_b 4.29852729
_cell_length_c 3.99308677
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BiAsRh
_chemical_formula_sum 'Bi1 As1 Rh1'
_cell_volume 63.89674792
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 3.33307541 1
Bi Bi1 1 2.14926364 1.24087794 1.43915902 1
Rh Rh2 1 -0.00000000 2.48175589 3.21393907 1
[/CIF]
| AsBiRh | P3m1 | 156 | trigonal | 3m | 10,052.295093 | false |
[CIF]
data_TcSn2P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.14139970
_cell_length_b 3.14139970
_cell_length_c 8.09017025
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcSn2P
_chemical_formula_sum 'Tc1 Sn2 P1'
_cell_volume 79.83697207
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P P0 1 0.00000000 0.00000000 5.56437800 1
Sn Sn1 1 1.57069985 1.57069985 7.63608873 1
Sn Sn2 1 0.00000000 0.00000000 2.47336301 1
Tc Tc3 1 1.57069985 1.57069985 4.55159588 1
[/CIF]
| PSn2Tc | P4mm | 99 | tetragonal | 4mm | 7,639.517405 | false |
[CIF]
data_RePb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49105706
_cell_length_b 4.49105706
_cell_length_c 3.57677683
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RePb
_chemical_formula_sum 'Re2 Pb2'
_cell_volume 72.14213476
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb Pb0 1 2.24552853 2.24552853 0.00000000 1
Pb Pb1 1 0.00000000 0.00000000 0.00000000 1
Re Re2 1 2.24552853 0.00000000 3.30859965 1
Re Re3 1 0.00000000 2.24552853 0.26817718 1
[/CIF]
| Pb2Re2 | P4/nmm | 129 | tetragonal | 4/mmm | 18,110.572823 | false |
[CIF]
data_Ca2HfIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07685749
_cell_length_b 5.07685749
_cell_length_c 5.07685749
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2HfIr
_chemical_formula_sum 'Ca2 Hf1 Ir1'
_cell_volume 92.52730671
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 5.38482054 5.38482054 5.38482054 1
Ca Ca1 1 1.79494018 1.79494018 1.79494018 1
Hf Hf2 1 0.00000000 0.00000000 0.00000000 1
Ir Ir3 1 3.58988036 3.58988036 3.58988036 1
[/CIF]
| Ca2HfIr | Fm-3m | 225 | cubic | m-3m | 8,091.401898 | false |
[CIF]
data_Zn2NiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.79512700
_cell_length_b 2.79512700
_cell_length_c 7.50698816
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn2NiGe
_chemical_formula_sum 'Zn2 Ni1 Ge1'
_cell_volume 58.65010874
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 1.39756350 1.39756350 4.05293395 1
Ni Ni1 1 0.00000000 0.00000000 5.62610237 1
Zn Zn2 1 1.39756350 1.39756350 7.31564809 1
Zn Zn3 1 0.00000000 0.00000000 1.77278606 1
[/CIF]
| GeNiZn2 | P4mm | 99 | tetragonal | 4mm | 7,420.554525 | false |
[CIF]
data_NaCrN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10777269
_cell_length_b 3.10777269
_cell_length_c 10.49922587
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaCrN
_chemical_formula_sum 'Na2 Cr2 N2'
_cell_volume 87.81857818
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na Na0 1 1.55388634 0.89713670 7.96387155 1
Na Na1 1 -0.00000000 1.79427340 2.71425861 1
Cr Cr2 1 0.00000000 0.00000000 5.43644319 1
Cr Cr3 1 0.00000000 0.00000000 0.18683026 1
N N4 1 -0.00000000 1.79427340 5.96697727 1
N N5 1 1.55388634 0.89713670 0.71736433 1
[/CIF]
| Cr2N2Na2 | P6_3mc | 186 | hexagonal | 6mm | 3,365.9556 | false |
[CIF]
data_BaTiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00000000
_cell_length_b 4.00000000
_cell_length_c 4.00000000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaTiO3
_chemical_formula_sum 'Ba1 Ti1 O3'
_cell_volume 64.00000000
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 2.00000000 2.00000000 2.00000000 1
O O1 1 2.00000000 0.00000000 0.00000000 1
O O2 1 0.00000000 2.00000000 0.00000000 1
O O3 1 0.00000000 0.00000000 2.00000000 1
Ti Ti4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaO3Ti | Pm-3m | 221 | cubic | m-3m | 6,050.386846 | false |
[CIF]
data_Ti2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84785837
_cell_length_b 4.84785837
_cell_length_c 4.84785837
_cell_angle_alpha 140.15334910
_cell_angle_beta 140.15334910
_cell_angle_gamma 57.62053380
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2Si
_chemical_formula_sum 'Ti2 Si1'
_cell_volume 46.36883902
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Si Si0 1 0.00000000 0.00000000 0.00000000 1
Ti Ti1 1 -0.00000000 0.00000000 5.60662572 1
Ti Ti2 1 0.00000000 -0.00000000 2.88895850 1
[/CIF]
| SiTi2 | I4/mmm | 139 | tetragonal | 4/mmm | 4,434.165731 | false |
[CIF]
data_CaAg2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02221821
_cell_length_b 5.02221821
_cell_length_c 5.02221821
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaAg2Se
_chemical_formula_sum 'Ca1 Ag2 Se1'
_cell_volume 89.57188964
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 1.77562227 1.77562228 1.77562228 1
Ag Ag1 1 5.32686682 5.32686682 5.32686682 1
Ca Ca2 1 0.00000000 0.00000000 0.00000000 1
Se Se3 1 3.55124455 3.55124455 3.55124455 1
[/CIF]
| Ag2CaSe | Fm-3m | 225 | cubic | m-3m | 6,206.254796 | false |
[CIF]
data_NbVO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72946650
_cell_length_b 4.72946650
_cell_length_c 3.15478287
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 92.12692029
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbVO4
_chemical_formula_sum 'Nb1 V1 O4'
_cell_volume 70.51710566
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb Nb0 1 3.28159336 0.00000000 2.97257208 1
V V1 1 0.00000000 0.00000000 1.61417620 1
O O2 1 1.31977153 0.00000000 0.07058827 1
O O3 1 3.28159336 1.35293315 1.61640979 1
O O4 1 3.28159336 -1.35293315 1.61640979 1
O O5 1 5.24341519 -0.00000000 0.07058827 1
[/CIF]
| NbO4V | Cmm2 | 35 | orthorhombic | mm2 | 4,894.410926 | false |
[CIF]
data_BaCa4Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16535694
_cell_length_b 7.16535694
_cell_length_c 7.16535694
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaCa4Ni
_chemical_formula_sum 'Ba1 Ca4 Ni1'
_cell_volume 260.13482134
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 2.53333624 2.53333624 2.53333624 1
Ca Ca1 1 3.79677513 3.79677513 6.33656983 1
Ca Ca2 1 3.79677513 6.33656983 3.79677513 1
Ca Ca3 1 6.33656983 3.79677513 3.79677513 1
Ca Ca4 1 6.33656983 6.33656983 6.33656983 1
Ni Ni5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaCa4Ni | F-43m | 216 | cubic | -43m | 2,274.604637 | false |
[CIF]
data_Be2TlCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72123027
_cell_length_b 4.72123027
_cell_length_c 4.72123027
_cell_angle_alpha 133.35270879
_cell_angle_beta 133.35270879
_cell_angle_gamma 68.10078053
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2TlCu
_chemical_formula_sum 'Be2 Tl1 Cu1'
_cell_volume 54.67221195
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Be Be1 1 0.00000000 1.86925076 1.95587694 1
Cu Cu2 1 0.00000000 0.00000000 3.91175388 1
Tl Tl3 1 1.86925076 0.00000000 1.95587694 1
[/CIF]
| Be2CuTl | I-4m2 | 119 | tetragonal | -42m | 8,685.165889 | false |
[CIF]
data_KGaRePt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73342395
_cell_length_b 4.73342395
_cell_length_c 4.73342395
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KGaRePt
_chemical_formula_sum 'K1 Ga1 Re1 Pt1'
_cell_volume 74.99135702
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 1.67351809 1.67351809 1.67351808 1
K K1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 3.34703617 3.34703617 3.34703617 1
Re Re3 1 5.02055426 5.02055426 5.02055426 1
[/CIF]
| GaKPtRe | F-43m | 216 | cubic | -43m | 10,852.592266 | false |
[CIF]
data_SbPtO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00794493
_cell_length_b 4.00794493
_cell_length_c 4.00794493
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SbPtO3
_chemical_formula_sum 'Sb1 Pt1 O3'
_cell_volume 64.38211460
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
O O0 1 2.00397246 0.00000000 0.00000000 1
O O1 1 0.00000000 2.00397246 0.00000000 1
O O2 1 0.00000000 0.00000000 2.00397246 1
Pt Pt3 1 2.00397246 2.00397246 2.00397246 1
Sb Sb4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| O3PtSb | Pm-3m | 221 | cubic | m-3m | 9,409.9849 | false |
[CIF]
data_MnTl2Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58732080
_cell_length_b 6.58732080
_cell_length_c 6.58732080
_cell_angle_alpha 141.46596849
_cell_angle_beta 141.38685754
_cell_angle_gamma 55.69378768
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnTl2Te
_chemical_formula_sum 'Mn1 Tl2 Te1'
_cell_volume 110.29220017
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn Mn0 1 0.00000000 0.00000000 0.00000000 1
Te Te1 1 0.00000000 0.00000000 5.82450223 1
Tl Tl2 1 2.17362488 -0.00000000 2.76516764 1
Tl Tl3 1 -0.00000000 2.17791736 3.05933459 1
[/CIF]
| MnTeTl2 | Immm | 71 | orthorhombic | mmm | 8,902.573906 | false |
[CIF]
data_SbW2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70457580
_cell_length_b 4.70457580
_cell_length_c 4.70457580
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SbW2Se
_chemical_formula_sum 'Sb1 W2 Se1'
_cell_volume 73.62857795
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sb Sb0 1 1.66331873 1.66331873 1.66331873 1
Se Se1 1 0.00000000 0.00000000 0.00000000 1
W W2 1 4.98995618 4.98995618 4.98995618 1
W W3 1 3.32663745 3.32663745 3.32663745 1
[/CIF]
| SbSeW2 | F-43m | 216 | cubic | -43m | 12,819.076937 | false |
[CIF]
data_BeZn2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.73511929
_cell_length_b 2.88261548
_cell_length_c 6.61557795
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeZn2Mo
_chemical_formula_sum 'Be1 Zn2 Mo1'
_cell_volume 52.15918274
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Mo Mo1 1 0.00000000 0.00000000 3.30778897 1
Zn Zn2 1 1.36755965 1.44130774 5.21258581 1
Zn Zn3 1 1.36755965 1.44130774 1.40299214 1
[/CIF]
| BeMoZn2 | Pmmm | 47 | orthorhombic | mmm | 7,504.766695 | false |
[CIF]
data_YAlReSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77927730
_cell_length_b 4.77927730
_cell_length_c 4.77927730
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YAlReSn
_chemical_formula_sum 'Y1 Al1 Re1 Sn1'
_cell_volume 77.19189306
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Re Re1 1 5.06918909 5.06918909 5.06918909 1
Sn Sn2 1 3.37945939 3.37945939 3.37945939 1
Y Y3 1 1.68972969 1.68972969 1.68972969 1
[/CIF]
| AlReSnY | F-43m | 216 | cubic | -43m | 9,052.273484 | false |
[CIF]
data_ScIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24142760
_cell_length_b 5.24142760
_cell_length_c 5.24142760
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScIr2
_chemical_formula_sum 'Sc2 Ir4'
_cell_volume 101.82016026
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc Sc0 1 -0.00000000 0.00000000 0.00000000 1
Sc Sc1 1 1.85312450 1.85312450 1.85312450 1
Ir Ir2 1 4.63281125 2.77968675 2.77968675 1
Ir Ir3 1 4.63281125 4.63281125 4.63281125 1
Ir Ir4 1 2.77968675 2.77968675 4.63281125 1
Ir Ir5 1 2.77968675 4.63281125 2.77968675 1
[/CIF]
| Ir4Sc2 | Fd-3m | 227 | cubic | m-3m | 14,005.452788 | false |
[CIF]
data_ZrPbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79702073
_cell_length_b 4.79702073
_cell_length_c 4.79702073
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrPbAu
_chemical_formula_sum 'Zr1 Pb1 Au1'
_cell_volume 78.05483119
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 5.08800883 5.08800884 5.08800884 1
Pb Pb1 1 1.69600294 1.69600294 1.69600295 1
Zr Zr2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuPbZr | F-43m | 216 | cubic | -43m | 10,538.942696 | false |
[CIF]
data_CrCuAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51746114
_cell_length_b 3.51746114
_cell_length_c 5.13178986
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrCuAs2
_chemical_formula_sum 'Cr1 Cu1 As2'
_cell_volume 63.49323873
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 4.77706602 1
As As1 1 1.75873057 1.75873057 1.62803842 1
Cr Cr2 1 0.00000000 0.00000000 2.29826259 1
Cu Cu3 1 1.75873057 1.75873057 4.12610761 1
[/CIF]
| As2CrCu | P4mm | 99 | tetragonal | 4mm | 6,940.623398 | false |
[CIF]
data_Zn2InW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82406943
_cell_length_b 2.82406943
_cell_length_c 9.03220373
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 94.88261837
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn2InW
_chemical_formula_sum 'Zn2 In1 W1'
_cell_volume 71.77374617
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 0.00000000 0.00000000 0.00000000 1
W W1 1 0.00000000 0.00000000 4.51610186 1
Zn Zn2 1 1.91004547 0.00000000 6.48465125 1
Zn Zn3 1 1.91004547 0.00000000 2.54755248 1
[/CIF]
| InWZn2 | Cmmm | 65 | orthorhombic | mmm | 9,934.905212 | false |
[CIF]
data_MgMnAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45295627
_cell_length_b 4.45295627
_cell_length_c 3.14414935
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgMnAl2
_chemical_formula_sum 'Mg1 Mn1 Al2'
_cell_volume 62.34477008
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 2.22647813 0.00000000 1.57207468 1
Al Al1 1 0.00000000 2.22647813 1.57207468 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
Mn Mn3 1 2.22647813 2.22647813 0.00000000 1
[/CIF]
| Al2MgMn | P4/mmm | 123 | tetragonal | 4/mmm | 3,547.915399 | false |
[CIF]
data_ZrScHgOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74005744
_cell_length_b 4.74005744
_cell_length_c 4.74005744
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrScHgOs
_chemical_formula_sum 'Zr1 Sc1 Hg1 Os1'
_cell_volume 75.30708133
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 3.35172676 3.35172676 3.35172676 1
Os Os1 1 5.02759014 5.02759014 5.02759014 1
Sc Sc2 1 0.00000000 0.00000000 0.00000000 1
Zr Zr3 1 1.67586338 1.67586338 1.67586338 1
[/CIF]
| HgOsScZr | F-43m | 216 | cubic | -43m | 11,620.473487 | false |
[CIF]
data_TcIrAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28542375
_cell_length_b 7.11511274
_cell_length_c 2.71379095
_cell_angle_alpha 82.69232873
_cell_angle_beta 75.62471597
_cell_angle_gamma 21.68295530
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcIrAu
_chemical_formula_sum 'Tc1 Ir1 Au1'
_cell_volume 48.19595279
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 1.56717763 2.21553957 0.00655366 1
Ir Ir1 1 1.56717763 2.21553957 4.49536192 1
Tc Tc2 1 1.56717763 2.21553957 9.37883133 1
[/CIF]
| AuIrTc | Fmm2 | 42 | orthorhombic | mm2 | 16,816.601446 | false |
[CIF]
data_BeCrOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29277861
_cell_length_b 4.29277861
_cell_length_c 4.68596659
_cell_angle_alpha 98.36212605
_cell_angle_beta 98.36212605
_cell_angle_gamma 36.49685302
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeCrOs2
_chemical_formula_sum 'Be1 Cr1 Os2'
_cell_volume 50.75502167
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Cr Cr1 1 3.71810320 -0.00000000 2.31535015 1
Os Os2 1 5.95249066 0.00000000 1.10925578 1
Os Os3 1 1.48371574 0.00000000 3.52144453 1
[/CIF]
| BeCrOs2 | C2/m | 12 | monoclinic | 2/m | 14,443.404905 | false |
[CIF]
data_CaZrMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.81063931
_cell_length_b 2.81063931
_cell_length_c 10.08413867
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaZrMo2
_chemical_formula_sum 'Ca1 Zr1 Mo2'
_cell_volume 79.66160300
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 0.00000000 0.00000000 1
Mo Mo1 1 1.40531966 1.40531966 2.64891677 1
Mo Mo2 1 1.40531966 1.40531966 7.43522190 1
Zr Zr3 1 0.00000000 0.00000000 5.04206934 1
[/CIF]
| CaMo2Zr | P4/mmm | 123 | tetragonal | 4/mmm | 6,737.533993 | false |
[CIF]
data_TlZn2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12337222
_cell_length_b 3.12337222
_cell_length_c 7.65048934
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlZn2Pd
_chemical_formula_sum 'Tl1 Zn2 Pd1'
_cell_volume 74.63399702
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pd Pd0 1 0.00000000 0.00000000 0.00000000 1
Tl Tl1 1 0.00000000 0.00000000 3.82524467 1
Zn Zn2 1 1.56168611 1.56168611 6.16044194 1
Zn Zn3 1 1.56168611 1.56168611 1.49004740 1
[/CIF]
| PdTlZn2 | P4/mmm | 123 | tetragonal | 4/mmm | 9,824.384855 | false |
[CIF]
data_Si2SnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08391040
_cell_length_b 3.08391040
_cell_length_c 7.51579968
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 92.01002034
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si2SnPd
_chemical_formula_sum 'Si2 Sn1 Pd1'
_cell_volume 71.43505754
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pd Pd0 1 0.00000000 0.00000000 1.48174096 1
Si Si1 1 2.14207018 0.00000000 0.08569545 1
Si Si2 1 0.00000000 0.00000000 6.12725178 1
Sn Sn3 1 2.14207018 0.00000000 3.57901133 1
[/CIF]
| PdSi2Sn | Cmm2 | 35 | orthorhombic | mm2 | 6,538.964425 | false |
[CIF]
data_TaGaTcPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72540295
_cell_length_b 4.72540295
_cell_length_c 4.72540295
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaGaTcPb
_chemical_formula_sum 'Ta1 Ga1 Tc1 Pb1'
_cell_volume 74.61077420
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 -0.00000000 -0.00000000 0.00000000 1
Pb Pb1 1 5.01204670 5.01204671 5.01204671 1
Ta Ta2 1 3.34136447 3.34136447 3.34136447 1
Tc Tc3 1 1.67068223 1.67068223 1.67068223 1
[/CIF]
| GaPbTaTc | F-43m | 216 | cubic | -43m | 12,391.643199 | false |
[CIF]
data_KYTaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95341079
_cell_length_b 4.95341079
_cell_length_c 4.95341079
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KYTaPt
_chemical_formula_sum 'K1 Y1 Ta1 Pt1'
_cell_volume 85.94053240
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 0.00000000 0.00000000 0.00000000 1
Pt Pt1 1 3.50259036 3.50259036 3.50259036 1
Ta Ta2 1 1.75129518 1.75129518 1.75129518 1
Y Y3 1 5.25388554 5.25388554 5.25388554 1
[/CIF]
| KPtTaY | F-43m | 216 | cubic | -43m | 9,738.961295 | false |
[CIF]
data_Hf2MgAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51925840
_cell_length_b 3.51925840
_cell_length_c 6.29880776
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2MgAs
_chemical_formula_sum 'Hf2 Mg1 As1'
_cell_volume 78.01186591
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 3.14940388 1
Hf Hf1 1 1.75962920 1.75962920 4.61473376 1
Hf Hf2 1 1.75962920 1.75962920 1.68407400 1
Mg Mg3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AsHf2Mg | P4/mmm | 123 | tetragonal | 4/mmm | 9,710.695491 | false |
[CIF]
data_Tl2PdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12016640
_cell_length_b 5.12016640
_cell_length_c 3.34171917
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 95.88541391
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl2PdAu
_chemical_formula_sum 'Tl2 Pd1 Au1'
_cell_volume 87.14507746
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 3.42986318 -0.00000000 0.00000000 1
Pd Pd1 1 0.00000000 0.00000000 0.00000000 1
Tl Tl2 1 1.71493159 1.90079869 1.67085958 1
Tl Tl3 1 1.71493159 -1.90079868 1.67085958 1
[/CIF]
| AuPdTl2 | Cmmm | 65 | orthorhombic | mmm | 13,569.993774 | false |
[CIF]
data_LiAg2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.81174433
_cell_length_b 2.81174433
_cell_length_c 8.91995110
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 108.68000554
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiAg2Pd
_chemical_formula_sum 'Li1 Ag2 Pd1'
_cell_volume 66.80543580
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 1.63917409 0.00000000 6.73266795 1
Ag Ag1 1 1.63917409 0.00000000 2.18728315 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Pd Pd3 1 0.00000000 0.00000000 4.45997555 1
[/CIF]
| Ag2LiPd | Cmmm | 65 | orthorhombic | mmm | 8,180.159037 | false |
[CIF]
data_FeRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82367565
_cell_length_b 5.82367565
_cell_length_c 5.82367565
_cell_angle_alpha 153.09576886
_cell_angle_beta 153.09576886
_cell_angle_gamma 38.41523811
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeRh2
_chemical_formula_sum 'Fe1 Rh2'
_cell_volume 40.37548911
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 0.00000000 0.00000000 0.00000000 1
Rh Rh1 1 -0.00000000 0.00000000 3.72911817 1
Rh Rh2 1 -0.00000000 0.00000000 7.26985571 1
[/CIF]
| FeRh2 | I4/mmm | 139 | tetragonal | 4/mmm | 10,761.232113 | false |
[CIF]
data_NaLiIr4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23024720
_cell_length_b 5.23024720
_cell_length_c 5.23024720
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaLiIr4
_chemical_formula_sum 'Na1 Li1 Ir4'
_cell_volume 101.16997630
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ir Ir0 1 2.77308792 2.77308792 4.62359860 1
Ir Ir1 1 2.77308792 4.62359860 2.77308792 1
Ir Ir2 1 4.62359860 2.77308792 2.77308792 1
Ir Ir3 1 4.62359860 4.62359860 4.62359860 1
Li Li4 1 0.00000000 0.00000000 0.00000000 1
Na Na5 1 1.84917163 1.84917163 1.84917163 1
[/CIF]
| Ir4LiNa | F-43m | 216 | cubic | -43m | 13,110.970381 | false |
[CIF]
data_TbCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58234157
_cell_length_b 3.58234157
_cell_length_c 3.69321887
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbCo
_chemical_formula_sum 'Tb1 Co1'
_cell_volume 41.04588860
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 0.00000000 0.00000000 1
Tb Tb1 1 1.79117077 1.03413294 1.84660943 1
[/CIF]
| CoTb | P-6m2 | 187 | hexagonal | -6m2 | 8,813.629428 | false |
[CIF]
data_Hf2TaAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50294422
_cell_length_b 8.50294422
_cell_length_c 8.50294422
_cell_angle_alpha 22.85650005
_cell_angle_beta 22.85650005
_cell_angle_gamma 22.85650005
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2TaAs
_chemical_formula_sum 'Hf2 Ta1 As1'
_cell_volume 81.38991424
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 -0.00000000 -0.00000000 1
Hf Hf1 1 -0.00000000 0.00000000 6.42782073 1
Hf Hf2 1 0.00000000 0.00000000 18.40439193 1
Ta Ta3 1 0.00000000 0.00000000 12.41610633 1
[/CIF]
| AsHf2Ta | R-3m | 166 | trigonal | -3m | 12,503.521018 | false |
[CIF]
data_YTi2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12128139
_cell_length_b 3.12128139
_cell_length_c 8.18218851
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YTi2Cl
_chemical_formula_sum 'Y1 Ti2 Cl1'
_cell_volume 79.71413301
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 0.00000000 0.00000000 0.00000000 1
Ti Ti1 1 1.56064070 1.56064070 1.63540887 1
Ti Ti2 1 1.56064070 1.56064070 6.54677964 1
Y Y3 1 0.00000000 0.00000000 4.09109425 1
[/CIF]
| ClTi2Y | P4/mmm | 123 | tetragonal | 4/mmm | 4,584.792707 | false |
[CIF]
data_CaScPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54389184
_cell_length_b 5.54389184
_cell_length_c 5.54389184
_cell_angle_alpha 137.36617500
_cell_angle_beta 137.36617500
_cell_angle_gamma 61.87513104
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaScPt2
_chemical_formula_sum 'Ca1 Sc1 Pt2'
_cell_volume 77.25477661
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 0.00000000 0.00000000 1
Pt Pt1 1 2.01535010 -0.00000000 2.37757569 1
Pt Pt2 1 0.00000000 -0.00000000 4.75515138 1
Sc Sc3 1 -0.00000000 2.01535010 2.37757569 1
[/CIF]
| CaPt2Sc | I-4m2 | 119 | tetragonal | -42m | 10,214.143048 | false |
[CIF]
data_HfCuTcRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45068467
_cell_length_b 4.45068467
_cell_length_c 4.45068467
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfCuTcRh
_chemical_formula_sum 'Hf1 Cu1 Tc1 Rh1'
_cell_volume 62.33981065
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 0.00000000 0.00000000 0.00000000 1
Hf Hf1 1 4.72066396 4.72066396 4.72066396 1
Rh Rh2 1 3.14710931 3.14710931 3.14710931 1
Tc Tc3 1 1.57355465 1.57355465 1.57355466 1
[/CIF]
| CuHfRhTc | F-43m | 216 | cubic | -43m | 11,822.725121 | false |
[CIF]
data_TcB2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00861995
_cell_length_b 4.00861995
_cell_length_c 4.00861995
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcB2Mo
_chemical_formula_sum 'Tc1 B2 Mo1'
_cell_volume 45.54803575
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 0.00000000 0.00000000 0.00000000 1
B B1 1 4.25178353 4.25178353 4.25178353 1
Mo Mo2 1 2.83452235 2.83452235 2.83452235 1
Tc Tc3 1 1.41726117 1.41726117 1.41726118 1
[/CIF]
| B2MoTc | F-43m | 216 | cubic | -43m | 7,892.483346 | false |
[CIF]
data_BaCo2P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.14808812
_cell_length_b 3.26624473
_cell_length_c 7.06231423
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaCo2P
_chemical_formula_sum 'Ba1 Co2 P1'
_cell_volume 72.61772509
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 1.57404406 1.63312236 5.28582750 1
Co Co1 1 0.00000000 0.00000000 0.66291924 1
Co Co2 1 1.57404406 1.63312236 1.83068476 1
P P3 1 0.00000000 0.00000000 2.81403984 1
[/CIF]
| BaCo2P | Pmm2 | 25 | orthorhombic | mm2 | 6,543.743072 | false |
[CIF]
data_Ru2RhBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.87342478
_cell_length_b 3.54252536
_cell_length_c 6.44766552
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ru2RhBr
_chemical_formula_sum 'Ru2 Rh1 Br1'
_cell_volume 65.63194890
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 0.00000000 0.00000000 3.19999007 1
Rh Rh1 1 1.43671239 1.77126268 5.08412611 1
Ru Ru2 1 0.00000000 0.00000000 0.05264313 1
Ru Ru3 1 1.43671239 1.77126268 1.33473904 1
[/CIF]
| BrRhRu2 | Pmm2 | 25 | orthorhombic | mm2 | 9,739.520069 | false |
[CIF]
data_Li2NbW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31108825
_cell_length_b 5.31108825
_cell_length_c 5.05004349
_cell_angle_alpha 95.08821174
_cell_angle_beta 95.08821174
_cell_angle_gamma 28.01012797
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2NbW
_chemical_formula_sum 'Li2 Nb1 W1'
_cell_volume 66.61835067
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 2.19010235 -0.00000000 3.70698322 1
Li Li1 1 7.65471623 -0.00000000 1.32191909 1
Nb Nb2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 4.92240929 0.00000000 2.51445116 1
[/CIF]
| Li2NbW | C2/m | 12 | monoclinic | 2/m | 7,244.246877 | false |
[CIF]
data_MnBeCr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90922824
_cell_length_b 3.90922824
_cell_length_c 3.90922824
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnBeCr2
_chemical_formula_sum 'Mn1 Be1 Cr2'
_cell_volume 42.24332413
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Cr Cr1 1 4.14636270 4.14636270 4.14636270 1
Cr Cr2 1 1.38212090 1.38212090 1.38212090 1
Mn Mn3 1 2.76424180 2.76424180 2.76424180 1
[/CIF]
| BeCr2Mn | Fm-3m | 225 | cubic | m-3m | 6,601.633908 | false |
[CIF]
data_MgMnCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21953498
_cell_length_b 3.21953498
_cell_length_c 8.03417195
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgMnCl2
_chemical_formula_sum 'Mg1 Mn1 Cl2'
_cell_volume 83.27745002
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 1.60976749 1.60976749 5.53675105 1
Cl Cl1 1 1.60976749 1.60976749 2.49742090 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
Mn Mn3 1 0.00000000 0.00000000 4.01708597 1
[/CIF]
| Cl2MgMn | P4/mmm | 123 | tetragonal | 4/mmm | 2,994.102187 | false |
[CIF]
data_ReBiPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36570399
_cell_length_b 6.36570399
_cell_length_c 6.36570399
_cell_angle_alpha 153.92418341
_cell_angle_beta 136.56769169
_cell_angle_gamma 51.36181530
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReBiPt2
_chemical_formula_sum 'Re1 Bi1 Pt2'
_cell_volume 77.61998395
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 0.00000000 2.35536589 2.36743274 1
Pt Pt1 1 -0.00000000 -0.00000000 0.33220261 1
Pt Pt2 1 1.43607527 0.00000000 3.28790169 1
Re Re3 1 -0.00000000 -0.00000000 5.48628137 1
[/CIF]
| BiPt2Re | Imm2 | 44 | orthorhombic | mm2 | 16,801.257311 | false |
[CIF]
data_KZrCuPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.86963873
_cell_length_b 4.86963873
_cell_length_c 4.86963873
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KZrCuPt
_chemical_formula_sum 'K1 Zr1 Cu1 Pt1'
_cell_volume 81.65358018
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 1.72167729 1.72167729 1.72167729 1
K K1 1 0.00000000 -0.00000000 0.00000000 1
Pt Pt2 1 5.16503186 5.16503186 5.16503186 1
Zr Zr3 1 3.44335457 3.44335457 3.44335457 1
[/CIF]
| CuKPtZr | F-43m | 216 | cubic | -43m | 7,909.885737 | false |
[CIF]
data_Hf2VIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.01052821
_cell_length_b 9.01052821
_cell_length_c 9.01052821
_cell_angle_alpha 19.65787531
_cell_angle_beta 19.65787531
_cell_angle_gamma 19.65787531
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2VIr
_chemical_formula_sum 'Hf2 V1 Ir1'
_cell_volume 72.40014316
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 -0.00000000 0.00000000 6.59111678 1
Hf Hf1 1 0.00000000 0.00000000 19.91011471 1
Ir Ir2 1 0.00000000 0.00000000 13.25061574 1
V V3 1 -0.00000000 -0.00000000 -0.00000000 1
[/CIF]
| Hf2IrV | R-3m | 166 | trigonal | -3m | 13,764.522821 | false |
[CIF]
data_Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.41720951
_cell_length_b 2.41720951
_cell_length_c 2.41720951
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ni
_chemical_formula_sum Ni1
_cell_volume 10.87228907
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni Ni0 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ni | Im-3m | 229 | cubic | m-3m | 8,964.320489 | false |
[CIF]
data_ScB4Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50666790
_cell_length_b 4.50666790
_cell_length_c 4.50666790
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScB4Se
_chemical_formula_sum 'Sc1 B4 Se1'
_cell_volume 64.72196113
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 4.15526161 2.21812925 4.15526161 1
B B1 1 2.21812925 4.15526161 4.15526161 1
B B2 1 2.21812925 2.21812925 2.21812925 1
B B3 1 4.15526161 4.15526161 2.21812925 1
Sc Sc4 1 0.00000000 0.00000000 0.00000000 1
Se Se5 1 4.78004314 4.78004315 4.78004315 1
[/CIF]
| B4ScSe | F-43m | 216 | cubic | -43m | 4,288.738465 | false |
[CIF]
data_BaHfTlHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49860978
_cell_length_b 5.49860978
_cell_length_c 5.49860978
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaHfTlHg
_chemical_formula_sum 'Ba1 Hf1 Tl1 Hg1'
_cell_volume 117.55570270
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 0.00000000 0.00000000 0.00000000 1
Hf Hf1 1 5.83215639 5.83215639 5.83215639 1
Hg Hg2 1 3.88810426 3.88810426 3.88810426 1
Tl Tl3 1 1.94405213 1.94405213 1.94405213 1
[/CIF]
| BaHfHgTl | F-43m | 216 | cubic | -43m | 10,181.560098 | false |
[CIF]
data_MgHgIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02926062
_cell_length_b 4.02926062
_cell_length_c 4.04657897
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgHgIr2
_chemical_formula_sum 'Mg1 Hg1 Ir2'
_cell_volume 65.69597141
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 2.01463031 2.01463031 0.00000000 1
Ir Ir1 1 2.01463031 0.00000000 2.02328948 1
Ir Ir2 1 0.00000000 2.01463031 2.02328948 1
Mg Mg3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HgIr2Mg | P4/mmm | 123 | tetragonal | 4/mmm | 15,401.471158 | false |
[CIF]
data_SrYCdPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08040715
_cell_length_b 5.08040715
_cell_length_c 5.08040715
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrYCdPt
_chemical_formula_sum 'Sr1 Y1 Cd1 Pt1'
_cell_volume 92.72152352
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 5.38858553 5.38858553 5.38858553 1
Pt Pt1 1 3.59239035 3.59239035 3.59239035 1
Sr Sr2 1 0.00000000 0.00000000 0.00000000 1
Y Y3 1 1.79619518 1.79619518 1.79619518 1
[/CIF]
| CdPtSrY | F-43m | 216 | cubic | -43m | 8,668.273557 | false |
[CIF]
data_InMoRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71446873
_cell_length_b 4.71446873
_cell_length_c 2.91281372
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural InMoRh2
_chemical_formula_sum 'In1 Mo1 Rh2'
_cell_volume 64.74082518
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 2.35723436 2.35723436 0.00000000 1
Mo Mo1 1 0.00000000 0.00000000 0.00000000 1
Rh Rh2 1 0.00000000 2.35723436 1.45640686 1
Rh Rh3 1 2.35723436 0.00000000 1.45640686 1
[/CIF]
| InMoRh2 | P4/mmm | 123 | tetragonal | 4/mmm | 10,685.101824 | false |
[CIF]
data_TiRuPtPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60926646
_cell_length_b 4.60926646
_cell_length_c 4.60926646
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiRuPtPb
_chemical_formula_sum 'Ti1 Ru1 Pt1 Pb1'
_cell_volume 69.24372898
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb Pb0 1 3.25924357 3.25924357 3.25924357 1
Pt Pt1 1 1.62962179 1.62962179 1.62962179 1
Ru Ru2 1 4.88886536 4.88886536 4.88886536 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| PbPtRuTi | F-43m | 216 | cubic | -43m | 13,218.872212 | false |
[CIF]
data_ScMn3Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01912389
_cell_length_b 5.01912389
_cell_length_c 5.01912389
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScMn3Tl
_chemical_formula_sum 'Sc1 Mn3 Tl1'
_cell_volume 126.43978459
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc Sc0 1 0.00000000 0.00000000 0.00000000 1
Tl Tl1 1 2.50956195 2.50956195 2.50956195 1
Mn Mn2 1 2.50956195 0.00000000 2.50956195 1
Mn Mn3 1 2.50956195 2.50956195 0.00000000 1
Mn Mn4 1 0.00000000 2.50956195 2.50956195 1
[/CIF]
| Mn3ScTl | Pm-3m | 221 | cubic | m-3m | 5,439.093514 | false |
[CIF]
data_VInTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56803580
_cell_length_b 4.56803580
_cell_length_c 4.56803580
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VInTc2
_chemical_formula_sum 'V1 In1 Tc2'
_cell_volume 67.40211096
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 4.84513364 4.84513364 4.84513364 1
Tc Tc1 1 1.61504455 1.61504455 1.61504455 1
Tc Tc2 1 3.23008909 3.23008909 3.23008909 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| InTc2V | F-43m | 216 | cubic | -43m | 8,957.068776 | false |
[CIF]
data_Ga2ReMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65857161
_cell_length_b 4.65857161
_cell_length_c 4.88261722
_cell_angle_alpha 100.43872480
_cell_angle_beta 100.43872480
_cell_angle_gamma 36.00366111
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga2ReMo
_chemical_formula_sum 'Ga2 Re1 Mo1'
_cell_volume 61.14872107
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 6.42608875 -0.00000000 1.21502073 1
Ga Ga1 1 1.50476173 0.00000000 3.57817261 1
Mo Mo2 1 0.00000000 0.00000000 0.00000000 1
Re Re3 1 3.96542524 -0.00000000 2.39659667 1
[/CIF]
| Ga2MoRe | C2/m | 12 | monoclinic | 2/m | 11,449.215049 | false |
[CIF]
data_Sr2YAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82727697
_cell_length_b 5.82727697
_cell_length_c 4.20861448
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2YAg
_chemical_formula_sum 'Sr2 Y1 Ag1'
_cell_volume 142.91258210
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 2.91363848 2.91363848 0.00000000 1
Sr Sr1 1 2.91363848 0.00000000 2.10430724 1
Sr Sr2 1 0.00000000 2.91363848 2.10430724 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgSr2Y | P4/mmm | 123 | tetragonal | 4/mmm | 4,322.573326 | false |
[CIF]
data_SbTeAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02014777
_cell_length_b 5.02014777
_cell_length_c 5.02014777
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SbTeAu
_chemical_formula_sum 'Sb1 Te1 Au1'
_cell_volume 89.46115580
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 3.54978053 3.54978053 3.54978053 1
Sb Sb1 1 0.00000000 0.00000000 0.00000000 1
Te Te2 1 1.77489027 1.77489027 1.77489026 1
[/CIF]
| AuSbTe | F-43m | 216 | cubic | -43m | 8,284.519663 | false |
[CIF]
data_NiGe2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35589016
_cell_length_b 4.35589016
_cell_length_c 4.35589016
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiGe2Os
_chemical_formula_sum 'Ni1 Ge2 Os1'
_cell_volume 58.44074742
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 3.08007947 3.08007947 3.08007947 1
Ge Ge1 1 4.62011920 4.62011920 4.62011920 1
Ni Ni2 1 0.00000000 0.00000000 0.00000000 1
Os Os3 1 1.54003974 1.54003974 1.54003974 1
[/CIF]
| Ge2NiOs | F-43m | 216 | cubic | -43m | 11,200.920159 | false |
[CIF]
data_PtBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37642150
_cell_length_b 4.37642150
_cell_length_c 4.37642150
_cell_angle_alpha 44.40406734
_cell_angle_beta 44.40406734
_cell_angle_gamma 44.40406734
_symmetry_Int_Tables_number 1
_chemical_formula_structural PtBr
_chemical_formula_sum 'Pt1 Br1'
_cell_volume 37.30616728
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 0.00000000 0.00000000 0.00000000 1
Pt Pt1 1 0.00000000 -0.00000000 5.90676600 1
[/CIF]
| BrPt | R-3m | 166 | trigonal | -3m | 12,240.020425 | false |
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