LMucko/crystallography-open-database huggingface dataset:
Crystal structure of potassium samarium nitrate hydrate, K[Sm(NO~3~) ~4~(H~2~O)~2~]
Held, P.; Bohatý, L.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 33–34; doi:

data_8100912
_publ_section_title
;
Crystal structure of potassium samarium nitrate hydrate, K[Sm(NO~3~)
~4~(H~2~O)~2~]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              33
_journal_page_last               34
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'K+, [Sm (NO3)4 (H2O)2]1-'
_chemical_formula_structural     'K [Sm (NO3)4 (H2O)2]'
_chemical_formula_sum            'H4 K N4 O14 Sm'
_chemical_formula_weight         473.51
_chemical_name_common            'Potassium samarium nitrate hydrate'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.7904(6)
_cell_length_b                   11.6050(4)
_cell_length_c                   7.9968(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1186.99(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.650
_refine_diff_density_rms         0.135
_cod_database_code               8100912
Crystal structure of tin octa-μ-chloro-hexachloro-octahedro- molybdate(II), Sn[(Mo~6~Cl~8~)Cl~6~)]
Flemström, A; Lidin, S; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 41–41; doi:

data_8100913
_publ_section_title
;
Crystal structure of tin octa-\m-chloro-hexachloro-octahedro-
molybdate(II), Sn[(Mo~6~Cl~8~)Cl~6~)]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              41
_journal_page_last               41
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'Sn((Mo6 Cl8)Cl6)'
_chemical_formula_sum            'Cl14 Mo6 Sn'
_chemical_formula_weight         11190.63
_space_group_IT_number           201
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.952
_cell_length_b                   12.952
_cell_length_c                   12.952
_cell_measurement_radiation      'Mo K\a'
_cell_measurement_temperature    293
_cell_measurement_wavelength     0.71073
_cell_volume                     2172.754
_exptl_crystal_density_diffrn    3.729
_reflns_limit_h_max              11
_reflns_limit_h_min              0
_reflns_limit_k_max              12
_reflns_limit_k_min              0
_reflns_limit_l_max              17
_reflns_limit_l_min              1
_cod_original_sg_symbol_H-M      Pn3-
_cod_original_formula_sum        'CL14 Mo6 Sn'
_cod_database_code               8100913
Crystal structure of calcium gold plumbide (2/2/1), Ca~2~Au~2~Pb
Fornasini, Maria L.; Merlo, Franco; Pani, Marcella; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 23–23; doi:

data_8100914
_publ_section_title
;
Crystal structure of calcium gold plumbide (2/2/1), Ca~2~Au~2~Pb
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              23
_journal_page_last               23
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'Ca2 Au2 Pb'
_chemical_formula_sum            'Au2 Ca2 Pb'
_chemical_formula_weight         681.28
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.0380(10)
_cell_length_b                   8.0380(10)
_cell_length_c                   3.8254(4)
_cell_measurement_temperature    293(2)
_cell_volume                     247.16(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    9.154
_refine_ls_R_factor_obs          0.0251
_refine_ls_wR_factor_obs         0.0538
_cod_database_code               8100914
Crystal structure of ytterbium gold plumbide (2/2/1), Yb~2~Au~2~Pb
Fornasini, Maria L.; Merlo, Franco; Pani, Marcella; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 24–24; doi:

data_8100915
_publ_section_title
;
Crystal structure of ytterbium gold plumbide (2/2/1), Yb~2~Au~2~Pb
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              24
_journal_page_last               24
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'Yb2 Au2 Pb'
_chemical_formula_sum            'Au2 Pb Yb2'
_chemical_formula_weight         947.20
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.037(2)
_cell_length_b                   8.037(2)
_cell_length_c                   7.465(2)
_cell_measurement_temperature    293(2)
_cell_volume                     482.2(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    13.048
_refine_ls_R_factor_obs          0.0363
_refine_ls_wR_factor_obs         0.0691
_cod_database_code               8100915
Crystal structure of dicaesium hydrogenphosphide, Cs~2~[PH]
Somer, Mehmet; Carrillo-Cabrera, Wilder; Grin, Yuri; Peters, Karl; von Schnering, Hans Georg; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 42–42; doi:

data_8100916
_publ_section_title
;
Crystal structure of dicaesium hydrogenphosphide, Cs~2~[PH]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              42
_journal_page_last               42
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'Cs2 [P H]'
_chemical_formula_sum            'Cs2 H P'
_chemical_formula_weight         297.80
_chemical_name_common            'dicaesium hydrogenphosphide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.626(2)
_cell_length_b                   5.8600(10)
_cell_length_c                   10.759(2)
_cell_measurement_temperature    293(2)
_cell_volume                     543.85(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.637
_cod_depositor_comments
;
 Moving the _atom_site_Wyckoff_symbol data item in to the
 _atom_site loop.

 Antanas Vaitkus,
 2017-01-11
;
_cod_original_sg_symbol_H-M      'Pn m a'
_cod_database_code               8100916
Crystal structure of trieuropium bis(dinitridoborate), Eu~3~[BN~2~] ~2~
Carrillo-Cabrera, Wilder; Somer, Mehmet; Peters, Karl; von Schnering, Hans Georg; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 43–44; doi:

data_8100917
_publ_section_title
;
Crystal structure of trieuropium bis(dinitridoborate), Eu~3~[BN~2~]
~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              43
_journal_page_last               44
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'Eu3 [B N2]2'
_chemical_formula_sum            'B2 Eu3 N4'
_chemical_formula_weight         533.54
_chemical_name_common            'trieuropium bis(dinitridoborate)'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            3
_cell_length_a                   7.6240(10)
_cell_length_b                   7.6240(10)
_cell_length_c                   7.6240(10)
_cell_measurement_temperature    293(2)
_cell_volume                     443.15(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.998
_cod_database_code               8100917
Crystal structure of scandium borocarbide, ScB~13~C
Leithe-Jasper, A.; Sato, A.; Tanaka, T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 45–46; doi:10.1524/ncrs.2001.216.14.45

data_8100918
_publ_section_title
;
 Crystal structure of scandium borocarbide, ScB~13~C
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              45
_journal_page_last               46
_journal_paper_doi               10.1524/ncrs.2001.216.14.45
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'Sc B14-y Cy (y= 1.1)'
_chemical_formula_sum            'C B13 Sc'
_chemical_formula_weight         197.50
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2c 2'
_symmetry_space_group_name_H-M   'I m a m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.6829(2)
_cell_length_b                   8.0375(3)
_cell_length_c                   10.0488(4)
_cell_measurement_temperature    293(2)
_cell_volume                     458.99(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.858
_cod_original_sg_symbol_H-M      'I m m a'
_cod_database_code               8100918
Crystal structure of (DL)-trithioureatartrato-O^1^,O^2^,O^3^-cadmium, C~28~H~64~Cd~4~N~24~O~24~S~12~
Zhou, Mei; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong; Wang, Xin Qiang; Gou, Shi Yi; Meng, Fan Qing; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 201–204; doi:

data_8100919
_publ_section_title
;
Crystal structure of (DL)-trithioureatartrato-O^1^,O^2^,O^3^-cadmium, 
C~28~H~64~Cd~4~N~24~O~24~S~12~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              201
_journal_page_last               204
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C28 H64 Cd4 N24 O24 S12'
_chemical_formula_weight         1955.35
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.111(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.732(2)
_cell_length_b                   17.9054(16)
_cell_length_c                   20.6992(19)
_cell_measurement_temperature    568(2)
_cell_volume                     6555.0(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.981
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               8100919
Refinement of the crystal structure of bis(2,4-pentanedionato-O,O')- oxovanadium(IV) at 183 K, VO(C~5~H~7~O~2~)~2~
Mahmoudkhani, Amir H.; Casari, Barbara; Langer, Vratislav; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 205–206; doi:

data_8100920
_publ_section_title
;
Refinement of the crystal structure of bis(2,4-pentanedionato-O,O')-
oxovanadium(IV) at 183 K, VO(C~5~H~7~O~2~)~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              205
_journal_page_last               206
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C10 H14 O5 V'
_chemical_formula_sum            'C10 H14 O5 V'
_chemical_formula_weight         265.15
_chemical_name_common            'Vanadyl acetylacetonate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.926(1)
_cell_angle_beta                 72.051(1)
_cell_angle_gamma                66.840(1)
_cell_formula_units_Z            2
_cell_length_a                   7.3859(1)
_cell_length_b                   8.1723(1)
_cell_length_c                   11.2039(1)
_cell_measurement_temperature    183(2)
_cell_volume                     579.900(12)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.519
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8100920
Crystal structure of tris(tri-tert-butoxysilanethiolato)-(aqua)gallium (III), [(t-BuO)~3~SiS]~3~Ga · H~2~O
Chojnacki, Jaroslaw; Schnepf, Andreas; Wojnowski, Wieslaw; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 198–200; doi:

data_8100921
_publ_section_title
;
Crystal structure of tris(tri-tert-butoxysilanethiolato)-(aqua)gallium
(III), [(t-BuO)~3~SiS]~3~Ga &#x00B7; H~2~O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              198
_journal_page_last               200
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C36 H83 Ga O10 S3 Si3'
_chemical_formula_weight         926.19
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.667(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.6973(13)
_cell_length_b                   14.0228(13)
_cell_length_c                   17.7910(10)
_cell_measurement_temperature    199(2)
_cell_volume                     5412.7(7)
_diffrn_ambient_temperature      199(2)
_exptl_crystal_density_diffrn    1.137
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'YES' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (9
times).

'_geom_bond_publ_flag' value 'NO' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (150 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100921
Crystal structure of bis-dipropylammonium hexathiotetraarsenate, [(C~3~H~7~)~2~NH~2~]~2~[As~4~S~6~]
Blachnik, Roger; Fehlker, Andreas; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 213–214; doi:

data_8100922
_publ_section_title
;
Crystal structure of bis-dipropylammonium hexathiotetraarsenate, 
[(C~3~H~7~)~2~NH~2~]~2~[As~4~S~6~]
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              213
_journal_page_last               214
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '[(C3 H7 )2 NH2 ]2[As4 S6]'
_chemical_formula_sum            'C12 H32 As4 N2 S6'
_chemical_formula_weight         1392.87
_space_group_IT_number           102
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4n -2n'
_symmetry_space_group_name_H-M   'P 42 n m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.312(2)
_cell_length_b                   15.312(2)
_cell_length_c                   5.8555(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1372.8(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.685
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'tetragonal ' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8100922
Crystal structure of tetrakis-dibutylammonium hexathiodigermanate (IV), [(C~4~H~9~)~2~NH~2~]~4~[Ge~2~S~6~]
Blachnik, Roger; Fehlker, Andreas; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 215–220; doi:

data_8100923
_publ_section_title
;
Crystal structure of tetrakis-dibutylammonium hexathiodigermanate
(IV), [(C~4~H~9~)~2~NH~2~]~4~[Ge~2~S~6~]
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              215
_journal_page_last               220
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '[(C4H9)2NH2]4[Ge2S6]'
_chemical_formula_sum            'C32 H80 Ge2 N4 S6'
_chemical_formula_weight         858.54
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                67.09(3)
_cell_angle_beta                 86.46(3)
_cell_angle_gamma                79.98(3)
_cell_formula_units_Z            2
_cell_length_a                   10.673(2)
_cell_length_b                   14.282(3)
_cell_length_c                   17.642(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2439.3(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.169
_cod_database_code               8100923
_diffrn_plate_number             235
_diffrn_plate_measurement_time   14min
_diffrn_delta_phi                0.8
_diffrn_phi_max                  188
Crystal structure of tris(ethylenediamine)gallium tetraselenoantimonate, [Ga(en)~3~]SbSe~4~
Blachnik, Roger; Fehlker, Andreas; Reuter, Hans; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 211–212; doi:

data_8100924
_publ_section_title
;
Crystal structure of tris(ethylenediamine)gallium tetraselenoantimonate, 
[Ga(en)~3~]SbSe~4~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              211
_journal_page_last               212
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '[Ga (en)3] Sb Se4'
_chemical_formula_sum            'C6 H24 Ga N6 Sb Se4'
_chemical_formula_weight         687.62
_space_group_IT_number           106
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4c -2ab'
_symmetry_space_group_name_H-M   'P 42 b c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.9955(18)
_cell_length_b                   15.9955(18)
_cell_length_c                   14.053(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3595.5(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.541
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8100924
Crystal structure of betaine rubidium iodide dihydrate,(C~5~H~11~NO~2~) ~2~RbI · 2H~2~O
Andrade, L.C.R.; Costa, M.M.R.; Rodrigues, V.H.; Paixão, J.A.; Filipa, P.; Almeida, A.; Chaves, M.R.; Klöpperpieper, A.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 227–228; doi:

data_8100925
_publ_section_title
;
Crystal structure of betaine rubidium iodide dihydrate,(C~5~H~11~NO~2~)
~2~RbI &#x00B7; 2H~2~O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              227
_journal_page_last               228
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C10 N2 O4 H22, Rb 1+, I 1-, 2 (H2O)'
_chemical_formula_structural     'C10 H26 I N2 O6 Rb'
_chemical_formula_sum            'C10 H26 I N2 O6 Rb'
_chemical_formula_weight         482.70
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.237(12)
_cell_angle_beta                 82.716(10)
_cell_angle_gamma                73.564(16)
_cell_formula_units_Z            1
_cell_length_a                   5.6871(9)
_cell_length_b                   5.8940(13)
_cell_length_c                   14.1924(13)
_cell_measurement_temperature    293(2)
_cell_volume                     450.92(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.778
_cod_database_code               8100925