LMucko/crystallography-open-database huggingface dataset:
Paramagnetic Ni (I O3)2 * 2(H2 O). Crystal structure of the transition-metal iodates. I
Abrahams, S.C.; Verschoor, G.C.; Bernstein, J.L.; Elemans, J.B.A.A.; Journal of Chemical Physics 59 (1973) 2007–2018; doi:

data_1523950
_publ_section_title
;
 Paramagnetic Ni (I O3)2 * 2(H2 O). Crystal structure of the
 transition-metal iodates. I
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              2007
_journal_page_last               2018
_journal_volume                  59
_journal_year                    1973
_chemical_formula_sum            'H4 I2 Ni O8'
_chemical_name_systematic        'Ni (I O3)2 (H2 O)2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.14986
_cell_length_b                   12.209
_cell_length_c                   6.58353
_cell_volume                     735.450
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Abrahams_JCPSA6_1973_673.cif
_cod_data_source_block           H4I2Ni1O8
_cod_original_cell_volume        735.4504
_cod_original_formula_sum        'H4 I2 Ni1 O8'
_cod_database_code               1523950
The lattice parameters and solubility limits of alpha-iron as affected by some binary transition-element additions
Abrahamson, E.P.; Lopata, S.L.; Transactions of the Metallurgical Society of Aime 236 (1966) 76–87; doi:

data_1523951
_publ_section_title
;
 The lattice parameters and solubility limits of alpha-iron as affected by
 some binary transition-element additions
;
_journal_name_full
'Transactions of the Metallurgical Society of Aime'
_journal_page_first              76
_journal_page_last               87
_journal_volume                  236
_journal_year                    1966
_chemical_formula_sum            'Cu0.003 Fe0.997'
_chemical_name_systematic        '(Cu.003 Fe.997)'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   2.8678
_cell_length_b                   2.8678
_cell_length_c                   2.8678
_cell_volume                     23.586
_citation_journal_id_ASTM        TMSAAB
_cod_data_source_file            Abrahamson_TMSAAB_1966_1412.cif
_cod_data_source_block           Cu0.003Fe0.997
_cod_original_cell_volume        23.58558
_cod_database_code               1523951
The lattice parameters and solibility limits of alpha-iron as affected by some binary transition-element additions
Abrahamson, E.P.; Lopata, S.L.; Transactions of the Metallurgical Society of Aime 236 (1966) 76–87; doi:

data_1523952
_publ_section_title
;
 The lattice parameters and solibility limits of alpha-iron as affected by
 some binary transition-element additions
;
_journal_name_full
'Transactions of the Metallurgical Society of Aime'
_journal_page_first              76
_journal_page_last               87
_journal_volume                  236
_journal_year                    1966
_chemical_formula_sum            'Fe0.95 Mn0.05'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   2.8708
_cell_length_b                   2.8708
_cell_length_c                   2.8708
_cell_volume                     23.660
_citation_journal_id_ASTM        TMSAAB
_cod_data_source_file            Abrahamson_TMSAAB_1966_1969.cif
_cod_data_source_block           Fe0.95Mn0.05
_cod_original_cell_volume        23.65968
_cod_database_code               1523952
New compounds A(2-x) V8 O16 (A = K, Tl) with Hollandite type structure
Abriel, W.; Range, K.J.; Rau, F.; Materials Research Bulletin 14 (1979) 1463–1468; doi:

data_1523953
_publ_section_title
;
 New compounds A(2-x) V8 O16 (A = K, Tl) with Hollandite type structure
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1463
_journal_page_last               1468
_journal_volume                  14
_journal_year                    1979
_chemical_formula_sum            'K2 O16 V8'
_chemical_name_systematic        'K2 V8 O16'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.963
_cell_length_b                   9.963
_cell_length_c                   2.916
_cell_volume                     289.446
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Abriel_MRBUAC_1979_404.cif
_cod_data_source_block           K2O16V8
_cod_original_cell_volume        289.4462
_cod_database_code               1523953
New compounds A(2-x) V8 O16 (A = K, Tl) with Hollandite type structure
Abriel, W.; Rau, F.; Range, K.J.; Materials Research Bulletin 14 (1979) 1463–1468; doi:

data_1523954
_publ_section_title
;
 New compounds A(2-x) V8 O16 (A = K, Tl) with Hollandite type structure
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1463
_journal_page_last               1468
_journal_volume                  14
_journal_year                    1979
_chemical_formula_sum            'O16 Tl1.74 V8'
_chemical_name_systematic        'Tl1.74 V8 O16'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.064
_cell_length_b                   10.064
_cell_length_c                   2.899
_cell_volume                     293.623
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Abriel_MRBUAC_1979_405.cif
_cod_data_source_block           O16Tl1.74V8
_cod_original_cell_volume        293.6226
_cod_database_code               1523954
High pressure synthesis of K3 V (V O4)2, a new compound with Glaserite type structure
Abriel, W.; Rau, F.; Range, K.J.; Materials Research Bulletin 15 (1980) 1099–1104; doi:

data_1523955
_publ_section_title
;
 High pressure synthesis of K3 V (V O4)2, a new compound with Glaserite
 type structure
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1099
_journal_page_last               1104
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'K3 O8 V3'
_chemical_name_systematic        'K3 V (V O4)2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.651
_cell_length_b                   5.651
_cell_length_c                   7.392
_cell_volume                     204.429
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Abriel_MRBUAC_1980_476.cif
_cod_data_source_block           K3O8V3
_cod_original_cell_volume        204.4293
_cod_database_code               1523955
A barium coppper titanate. The synthesis and structural characterization of Ba8 Cu2 Ti22 O54
Adams, R.D.; Layland, R.C.; Polyhedron 16 (1997) 2105–2108; doi:

data_1523956
_publ_section_title
;
 A barium coppper titanate. The synthesis and structural characterization
 of Ba8 Cu2 Ti22 O54
;
_journal_name_full               Polyhedron
_journal_page_first              2105
_journal_page_last               2108
_journal_volume                  16
_journal_year                    1997
_chemical_formula_sum            'Ba6 Cu1.328 O49 Ti16.176'
_chemical_name_systematic        'Ba8 Cu2 O54 Ti22'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.02
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.865
_cell_length_b                   11.469
_cell_length_c                   9.94
_cell_volume                     2141.008
_citation_journal_id_ASTM        PLYHDE
_cod_data_source_file            Adams_PLYHDE_1997_24.cif
_cod_data_source_block           Ba6Cu1.328O49Ti16.176
_cod_database_code               1523956
The valence state of Yb in Yb X Cu4 (X= Al, Ag, Ga) compounds
Adroja, D.T.; Malik, S.K.; Padalia, B.D.; Vijayaraghavan, R.; Journal of Physics C 20 (1987) 307–310; doi:

data_1523957
_publ_section_title
;
 The valence state of Yb in Yb X Cu4 (X= Al, Ag, Ga) compounds
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              307
_journal_page_last               310
_journal_volume                  20
_journal_year                    1987
_chemical_formula_sum            'Cu4 Ga Yb'
_chemical_name_systematic        '(Cu0.8 Ga0.2)5 Yb'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.071
_cell_length_b                   5.071
_cell_length_c                   4.12
_cell_volume                     91.752
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            Adroja_JPSOAW_1987_1465.cif
_cod_data_source_block           Cu4Ga1Yb1
_cod_original_cell_volume        91.7519
_cod_original_formula_sum        'Cu4 Ga1 Yb1'
_cod_database_code               1523957
Structural and magnetic studies on Ce T Pt4 (T= Cu, Ga, Rh, Pd and In) compounds
Adroja, D.T.; Vijayaraghavan, R.; Malik, S.K.; Padalia, B.D.; Solid State Communications 71 (1989) 649–651; doi:

data_1523958
_publ_section_title
;
 Structural and magnetic studies on Ce T Pt4 (T= Cu, Ga, Rh, Pd and In)
 compounds
;
_journal_name_full               'Solid State Communications'
_journal_page_first              649
_journal_page_last               651
_journal_volume                  71
_journal_year                    1989
_chemical_formula_sum            'Ce Cu Pt4'
_chemical_name_systematic        'Ce (Cu Pt4)'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.338
_cell_length_b                   5.338
_cell_length_c                   4.347
_cell_volume                     107.270
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Adroja_SSCOA4_1989_768.cif
_cod_data_source_block           Ce1Cu1Pt4
_cod_original_cell_volume        107.2698
_cod_original_formula_sum        'Ce1 Cu1 Pt4'
_cod_database_code               1523958
Structural and magnetic studies on Ce T Pt4 (T= Cu, Ga, Rh, Pd, and In) compounds
Adroja, D.T.; Padalia, B.D.; Malik, S.K.; Vijayaraghavan, R.; Solid State Communications 71 (1989) 649–651; doi:

data_1523959
_publ_section_title
;
 Structural and magnetic studies on Ce T Pt4 (T= Cu, Ga, Rh, Pd, and In)
 compounds
;
_journal_name_full               'Solid State Communications'
_journal_page_first              649
_journal_page_last               651
_journal_volume                  71
_journal_year                    1989
_chemical_formula_sum            'Ce In Pt4'
_chemical_name_systematic        '(Ce In) Pt4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.602
_cell_length_b                   7.602
_cell_length_c                   7.602
_cell_volume                     439.323
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Adroja_SSCOA4_1989_811.cif
_cod_data_source_block           Ce1In1Pt4
_cod_original_cell_volume        439.3227
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Ce1 In1 Pt4'
_cod_database_code               1523959
Structural and magnetic studies on Ce T Pt4 (T= Cu, Ga, Rh, Pd and In) compounds
Adroja, D.T.; Malik, S.K.; Vijayaraghavan, R.; Padalia, B.D.; Solid State Communications 71 (1989) 649–651; doi:

data_1523960
_publ_section_title
;
 Structural and magnetic studies on Ce T Pt4 (T= Cu, Ga, Rh, Pd and In)
 compounds
;
_journal_name_full               'Solid State Communications'
_journal_page_first              649
_journal_page_last               651
_journal_volume                  71
_journal_year                    1989
_chemical_formula_sum            'Ce Pd Pt4'
_chemical_name_systematic        'Ce (Pd Pt4)'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.168
_cell_length_b                   5.168
_cell_length_c                   4.157
_cell_volume                     96.151
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Adroja_SSCOA4_1989_860.cif
_cod_data_source_block           Ce1Pd1Pt4
_cod_original_cell_volume        96.15142
_cod_original_formula_sum        'Ce1 Pd1 Pt4'
_cod_database_code               1523960
Structural and magnetic studies on Ce T Pt4 (T= Cu, Ga, Rh, Pd and In) compounds
Adroja, D.T.; Malik, S.K.; Padalia, B.D.; Vijayaraghavan, R.; Solid State Communications 71 (1989) 649–651; doi:

data_1523961
_publ_section_title
;
 Structural and magnetic studies on Ce T Pt4 (T= Cu, Ga, Rh, Pd and In)
 compounds
;
_journal_name_full               'Solid State Communications'
_journal_page_first              649
_journal_page_last               651
_journal_volume                  71
_journal_year                    1989
_chemical_formula_sum            'Ce Pt5'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.365
_cell_length_b                   5.365
_cell_length_c                   4.379
_cell_volume                     109.155
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Adroja_SSCOA4_1989_868.cif
_cod_data_source_block           Ce1Pt5
_cod_original_cell_volume        109.1553
_cod_original_formula_sum        'Ce1 Pt5'
_cod_database_code               1523961
Structural and magnetic studies on Ce T Pt4 (T= Cu, Ga, Rh, Pd and In) compounds
Adroja, D.T.; Malik, S.K.; Vijayaraghavan, R.; Padalia, B.D.; Solid State Communications 71 (1989) 649–651; doi:

data_1523962
_publ_section_title
;
 Structural and magnetic studies on Ce T Pt4 (T= Cu, Ga, Rh, Pd and In)
 compounds
;
_journal_name_full               'Solid State Communications'
_journal_page_first              649
_journal_page_last               651
_journal_volume                  71
_journal_year                    1989
_chemical_formula_sum            'Ce Pt4 Rh'
_chemical_name_systematic        'Ce (Pt4 Rh)'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.346
_cell_length_b                   5.346
_cell_length_c                   4.385
_cell_volume                     108.532
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Adroja_SSCOA4_1989_870.cif
_cod_data_source_block           Ce1Pt4Rh1
_cod_original_cell_volume        108.5321
_cod_original_formula_sum        'Ce1 Pt4 Rh1'
_cod_database_code               1523962
Neutron diffraction studies of the Zr3P-D system
Ahlzen, P.J.; Andersson, Y.; Rundqvist, S.; Tellgren, R.; Journal of the Less-Common Metals 170 (1991) 263–270; doi:

data_1523963
_publ_section_title
;
 Neutron diffraction studies of the Zr3P-D system
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              263
_journal_page_last               270
_journal_volume                  170
_journal_year                    1991
_chemical_formula_sum            'D20.76 P8 Zr24'
_chemical_name_systematic        '(Zr3 D3 P)9.71'
_space_group_IT_number           133
_symmetry_space_group_name_Hall  'P 4n 2c -1n'
_symmetry_space_group_name_H-M   'P 42/n b c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   11.1084
_cell_length_b                   11.1084
_cell_length_c                   5.4472
_cell_volume                     672.166
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Ahlzen_JCOMAH_1991_59.cif
_cod_data_source_block           D20.76P8Zr24
_cod_original_cell_volume        672.1657
_cod_original_sg_symbol_Hall     '-P 4ac 2b (x-1/4,y+1/4,z+1/4)'
_cod_database_code               1523963
Crystal structure of praseodymium sulfate octahydrate
Ahmed Farag, I.S.; El Kordy, M.A.; Ahmed, N.A.; Zeitschrift fuer Kristallographie (149,1979-) 155 (1981) 165–171; doi:

data_8103524
_publ_section_title
;
 Crystal structure of praseodymium sulfate octahydrate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              165
_journal_page_last               171
_journal_volume                  155
_journal_year                    1981
_chemical_formula_sum            'H16 O20 Pr2 S3'
_chemical_name_systematic        'Pr2 (S O4)3 (H2 O)8'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.694
_cell_length_b                   6.803
_cell_length_c                   18.061
_cell_volume                     1645.800
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            AhmedFarag_ZEKRDZ_1981_339.cif
_cod_data_source_block           H16O20Pr2S3
_cod_original_cell_volume        1645.8
_cod_database_code               8103524
Einkristalluntersuchungen an Hochdruckmodifikationen von K2 Zn (C N)4
Ahsbahs, H.; Zeitschrift fuer Kristallographie (149,1979-) 149 (1979) 151–152; doi:

data_8103525
_publ_section_title
;
 Einkristalluntersuchungen an Hochdruckmodifikationen von K2 Zn (C N)4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              151
_journal_page_last               152
_journal_volume                  149
_journal_year                    1979
_chemical_formula_sum            'C4 K2 N4 Zn'
_chemical_name_systematic        'K2 (Zn (C N)4)'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                32.4
_cell_angle_beta                 32.4
_cell_angle_gamma                32.4
_cell_formula_units_Z            4
_cell_length_a                   15.19
_cell_length_b                   15.19
_cell_length_c                   15.19
_cell_volume                     894.647
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Ahsbahs_ZEKRDZ_1979_288.cif
_cod_data_source_block           C4K2N4Zn1
_cod_original_cell_volume        894.6469
_cod_original_sg_symbol_Hall     '-R 3 2"c (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'C4 K2 N4 Zn1'
_cod_database_code               8103525
Strukturbestimmung der wasserhaltigen Phase von K2 Zn (C N)4 bei hohem Druck
Ahsbahs, H.; Zeitschrift fuer Kristallographie (149,1979-) 154 (1981) 243–244; doi:

data_8103526
_publ_section_title
;
 Strukturbestimmung der wasserhaltigen Phase von K2 Zn (C N)4 bei hohem
 Druck
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              243
_journal_page_last               244
_journal_volume                  154
_journal_year                    1981
_chemical_formula_sum            'C16 H18 K8 N16 O9 Zn4'
_chemical_name_systematic        'K8 Zn4 (C N)16 (H2 O)9'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.95
_cell_length_b                   32.01
_cell_length_c                   15.46
_cell_volume                     3934.253
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Ahsbahs_ZEKRDZ_1981_323.cif
_cod_data_source_block           C16H18K8N16O9Zn4
_cod_database_code               8103526
Lattice parameters and thermal expansion of Ti (Cx N1-x), Z r(Cx N1-x), Hf (Cx N1-x) and Ti N1-x from 298 to 1473 K as investigated by high-temperature X-ray diffraction
Aigner, K.; Lengauer, W.; Rafaja, D.; Ettmayer, P.; Journal of Alloys Compd. 215 (1994) 121–126; doi:

data_1523964
_publ_section_title
;
 Lattice parameters and thermal expansion of Ti (Cx N1-x), Z r(Cx N1-x),
 Hf (Cx N1-x) and Ti N1-x from 298 to 1473 K as investigated by
 high-temperature X-ray diffraction
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              121
_journal_page_last               126
_journal_volume                  215
_journal_year                    1994
_chemical_formula_sum            'C2 Hf4 N2'
_chemical_name_systematic        '(Hf C N)2.66'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.6
_cell_length_b                   4.6
_cell_length_c                   4.6
_cell_volume                     97.336
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Aigner_JALCEU_1994_122.cif
_cod_data_source_block           C2Hf4N2
_cod_original_cell_volume        97.33599
_cod_database_code               1523964