LMucko/crystallography-open-database huggingface dataset:
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 298–306; doi:

data_9009208
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              298
_journal_page_last               306
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Rh2Ge
_chemical_formula_sum            'Ge Rh2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.57
_cell_length_b                   5.44
_cell_length_c                   4.00
_cell_formula_units_Z            4
_cell_volume                     164.723
_database_code_amcsd             0011887
_exptl_crystal_density_diffrn    11.227
_cod_database_code               9009208
_amcsd_formula_title             Rh2Ge
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 298–306; doi:

data_9009209
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              298
_journal_page_last               306
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Co2Si
_chemical_formula_sum            'Co2 Si'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.109
_cell_length_b                   4.918
_cell_length_c                   3.738
_cell_formula_units_Z            4
_cell_volume                     130.688
_database_code_amcsd             0011888
_exptl_crystal_density_diffrn    7.418
_cod_original_formula_sum        'Si Co2'
_cod_database_code               9009209
_amcsd_formula_title             Co2Si
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 298–306; doi:

data_9009210
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              298
_journal_page_last               306
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Ni2Si
_chemical_formula_sum            'Ni2 Si'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.03
_cell_length_b                   4.99
_cell_length_c                   3.72
_cell_formula_units_Z            4
_cell_volume                     130.496
_database_code_amcsd             0011889
_exptl_crystal_density_diffrn    7.404
_cod_original_formula_sum        'Si Ni2'
_cod_database_code               9009210
_amcsd_formula_title             Ni2Si
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 298–306; doi:

data_9009211
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              298
_journal_page_last               306
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     ZrAs2
_chemical_formula_sum            'As2 Zr'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.027
_cell_length_b                   6.801
_cell_length_c                   3.689
_cell_formula_units_Z            4
_cell_volume                     226.477
_database_code_amcsd             0011890
_exptl_crystal_density_diffrn    14.140
_cod_original_formula_sum        'Zr As2'
_cod_database_code               9009211
_amcsd_formula_title             ZrAs2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 306–307; doi:

data_9009212
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              306
_journal_page_last               307
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     HgCl2
_chemical_formula_sum            'Cl2 Hg'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.325
_cell_length_b                   12.735
_cell_length_c                   5.963
_cell_formula_units_Z            4
_cell_volume                     328.435
_database_code_amcsd             0011891
_exptl_crystal_density_diffrn    5.491
_cod_original_formula_sum        'Hg Cl2'
_cod_database_code               9009212
_amcsd_formula_title             HgCl2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 307–308; doi:

data_9009213
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              307
_journal_page_last               308
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     HgBr2
_chemical_formula_sum            'Br2 Hg'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.624
_cell_length_b                   12.445
_cell_length_c                   6.798
_cell_formula_units_Z            8
_cell_volume                     391.196
_database_code_amcsd             0011892
_exptl_crystal_density_diffrn    12.238
_cod_original_formula_sum        'Hg Br2'
_cod_database_code               9009213
_amcsd_formula_title             HgBr2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 308–309; doi:

data_9009214
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              308
_journal_page_last               309
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Hg(Cl,Br)2
_chemical_formula_sum            'Br Cl Hg'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.10
_cell_length_b                   13.17
_cell_length_c                   6.78
_cell_formula_units_Z            4
_cell_volume                     366.100
_database_code_amcsd             0011893
_exptl_crystal_density_diffrn    5.732
_cod_original_formula_sum        'Hg (Cl Br)'
_cod_database_code               9009214
_amcsd_formula_title             Hg(Cl,Br)2
Structure of ice VI
Kamb, B.; Science 150 (1965) 205–209; doi:10.1126/science.150.3693.205

data_9009215
_publ_section_title
;
 Structure of ice VI
;
_journal_name_full               Science
_journal_page_first              205
_journal_page_last               209
_journal_paper_doi               10.1126/science.150.3693.205
_journal_volume                  150
_journal_year                    1965
_chemical_formula_structural     H2O
_chemical_formula_sum            'H2 O'
_chemical_name_mineral           Ice
_space_group_IT_number           137
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   6.27
_cell_length_b                   6.27
_cell_length_c                   5.79
_cell_volume                     227.622
_database_code_amcsd             0015417
_exptl_crystal_density_diffrn    1.577
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_original_formula_sum        '(O H2)'
_cod_database_code               9009215
Ammonioborite: New borate polyion and its structure
Merlino S; Sartori F; Science 171 (1971) 377–379; doi:10.1126/science.171.3969.377

data_9009216
_publ_section_title
;
 Ammonioborite: New borate polyion and its structure
;
_journal_name_full               Science
_journal_page_first              377
_journal_page_last               379
_journal_paper_doi               10.1126/science.171.3969.377
_journal_volume                  171
_journal_year                    1971
_chemical_formula_sum            'B15 H20 N3 O32'
_chemical_name_mineral           Ammonioborite
_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                 94.28
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.27
_cell_length_b                   9.65
_cell_length_c                   11.56
_cell_volume                     2811.108
_cod_original_formula_sum        'N3 B15 O32 H20'
_cod_database_code               9009216
Post-perovskite phase transition in MgSiO3 Sample: P = 121 GPa, T = 300 K Note: CaIrO3-type structure from ab initio calculations using observed cell parameters
Murakami, M.; Hirose, K.; Kawamura, K.; Sata, N.; Ohishi, Y.; Science 304 (2004) 855–858; doi:10.1126/science.1095932

data_9009217
_publ_section_title
;Post-perovskite phase transition in MgSiO3 Sample: P = 121 GPa, T = 300 K
 Note: CaIrO3-type structure from ab initio calculations using observed cell
 parameters
;
_journal_name_full               Science
_journal_page_first              855
_journal_page_last               858
_journal_paper_doi               10.1126/science.1095932
_journal_volume                  304
_journal_year                    2004
_chemical_formula_structural     MgSiO3
_chemical_formula_sum            'Mg O3 Si'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.456
_cell_length_b                   8.042
_cell_length_c                   6.093
_cell_formula_units_Z            4
_cell_volume                     120.344
_database_code_amcsd             0015437
_diffrn_ambient_pressure         1.21e+08
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    5.541
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9009217
_amcsd_formula_title             MgSiO3
The pyrite-type high-pressure form of silica Sample: P = 271 GPa, T = 300 K
Kuwayama, Y.; Hirose, K.; Sata, N.; Ohishi, Y.; Science 309 (2005) 923–925; doi:10.1126/science.1114879

data_9009218
_publ_section_title
;
 The pyrite-type high-pressure form of silica
 Sample: P = 271 GPa, T = 300 K
;
_journal_name_full               Science
_journal_page_first              923
_journal_page_last               925
_journal_paper_doi               10.1126/science.1114879
_journal_volume                  309
_journal_year                    2005
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.9299
_cell_length_b                   3.9299
_cell_length_c                   3.9299
_cell_formula_units_Z            4
_cell_volume                     60.694
_database_code_amcsd             0015438
_diffrn_ambient_pressure         2.71e+08
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    6.575
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Si O2'
_cod_database_code               9009218
_amcsd_formula_title             SiO2
Structure of the eta phase of the iron-silicon system
Weill, A. R.; Nature 152 (1943) 413–413; doi:

data_9009219
_publ_section_title
;
 Structure of the eta phase of the iron-silicon system
;
_journal_name_full               Nature
_journal_page_first              413
_journal_page_last               413
_journal_volume                  152
_journal_year                    1943
_chemical_formula_sum            'Fe5 Si3'
_chemical_name_mineral           Xifengite
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.7416
_cell_length_b                   6.7416
_cell_length_c                   4.7079
_cell_formula_units_Z            2
_cell_volume                     185.304
_database_code_amcsd             0014672
_exptl_crystal_density_diffrn    6.515
_cod_database_code               9009219
Zirconolite - a fluorite-related superstructure Note polytype Zirconolite-2M
Rossell, H. J.; Nature 283 (1980) 282–283; doi:10.1038/283282a0

data_9009220
_publ_section_title
;
 Zirconolite - a fluorite-related superstructure
 Note polytype Zirconolite-2M
;
_journal_name_full               Nature
_journal_page_first              282
_journal_page_last               283
_journal_paper_doi               10.1038/283282a0
_journal_volume                  283
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 O14 Ti4 Zr2'
_chemical_name_mineral           Zirconolite
_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                 100.533
_cell_angle_gamma                90
_cell_length_a                   12.4458
_cell_length_b                   7.2734
_cell_length_c                   11.3942
_cell_formula_units_Z            4
_cell_volume                     1014.060
_database_code_amcsd             0014676
_exptl_crystal_density_diffrn    4.442
_cod_original_formula_sum        'Ca2 Zr2 Ti4 O14'
_cod_database_code               9009220
An X-ray structural study of cacoxenite, a mineral phosphate
Moore P B; Shen J; Nature 306 (1983) 356–358; doi:10.1038/306356a0

data_9009221
_publ_section_title
;
 An X-ray structural study of cacoxenite, a mineral phosphate
;
_journal_name_full               Nature
_journal_page_first              356
_journal_page_last               358
_journal_paper_doi               10.1038/306356a0
_journal_volume                  306
_journal_year                    1983
_chemical_compound_source
'Avant's Claim, near Shady, Polk County, Arkansas, USA'
_chemical_formula_sum            'Al4 Fe21 H60 O110 P17'
_chemical_name_mineral           Cacoxenite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   27.559
_cell_length_b                   27.559
_cell_length_c                   10.550
_cell_volume                     6939.209
_database_code_amcsd             0014677
_exptl_crystal_density_diffrn    1.736
_cod_original_formula_sum        'Al4 Fe21 P17 O110 H60'
_cod_database_code               9009221
Further evidence for Tl3+ in Tl-based superconductors from improved bond strength parameters involving new structural data of cubic Tl2O3
Otto, H. H.; Baltrusch, R.; Brant, H. J.; Physica C 215 (1993) 205–208; doi:10.1016/0921-4534(93)90382-Z

data_9009222
_publ_section_title
;
 Further evidence for Tl3+ in Tl-based superconductors from improved
 bond strength parameters involving new structural data of cubic Tl2O3
;
_journal_name_full               'Physica C'
_journal_page_first              205
_journal_page_last               208
_journal_paper_doi               10.1016/0921-4534(93)90382-Z
_journal_volume                  215
_journal_year                    1993
_chemical_formula_sum            'O3 Tl2'
_chemical_name_mineral           Avicennite
_space_group_IT_number           206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.5344
_cell_length_b                   10.5344
_cell_length_c                   10.5344
_cell_formula_units_Z            16
_cell_volume                     1169.040
_database_code_amcsd             0015057
_exptl_crystal_density_diffrn    10.381
_cod_original_sg_symbol_H-M      'I a 3'
_cod_original_formula_sum        'Tl2 O3'
_cod_database_code               9009222
Crystal chemistry of HgBa2CaCu2O8+d and HgBa2Ca2Cu3O8+d Single-crystal X-ray diffraction results Sample: Hg-1212 superconductor
Finger, L. W.; Hazen, R. M.; Downs, R. T.; Meng, R. L.; Chu, C. W.; Physica C 226 (1994) 216–221; doi:10.1016/0921-4534(94)90197-X

data_9009223
_publ_section_title
;
 Crystal chemistry of HgBa2CaCu2O8+d and HgBa2Ca2Cu3O8+d
 Single-crystal X-ray diffraction results
 Sample: Hg-1212 superconductor
;
_journal_name_full               'Physica C'
_journal_page_first              216
_journal_page_last               221
_journal_paper_doi               10.1016/0921-4534(94)90197-X
_journal_volume                  226
_journal_year                    1994
_chemical_formula_structural     HgBa2CaCu2O6+delta
_chemical_formula_sum            'Ba2 Ca Cu2.13 Hg0.87 O6.64'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8564
_cell_length_b                   3.8564
_cell_length_c                   12.682
_cell_volume                     188.604
_database_code_amcsd             0015065
_exptl_crystal_density_diffrn    6.435
_cod_original_formula_sum        'Hg.87 Cu2.13 Ba2 Ca O6.64'
_cod_database_code               9009223
_amcsd_formula_title             HgBa2CaCu2O6+delta
Crystal chemistry of HgBa2CaCu2O8+d and HgBa2Ca2Cu3O8+d Single-crystal X-ray diffraction results Sample: Hg-1223 superconductor
Finger, L. W.; Hazen, R. M.; Downs, R. T.; Meng, R. L.; Chu, C. W.; Physica C 226 (1994) 216–221; doi:10.1016/0921-4534(94)90197-X

data_9009224
_publ_section_title
;
 Crystal chemistry of HgBa2CaCu2O8+d and HgBa2Ca2Cu3O8+d
 Single-crystal X-ray diffraction results
 Sample: Hg-1223 superconductor
;
_journal_name_full               'Physica C'
_journal_page_first              216
_journal_page_last               221
_journal_paper_doi               10.1016/0921-4534(94)90197-X
_journal_volume                  226
_journal_year                    1994
_chemical_formula_structural     HgBa2Ca2Cu3O8+delta
_chemical_formula_sum            'Ba2 Ca2 Cu3.18 Hg0.82 O12.13'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.842
_cell_length_b                   3.842
_cell_length_c                   15.832
_cell_formula_units_Z            1
_cell_volume                     233.696
_database_code_amcsd             0015066
_exptl_crystal_density_diffrn    6.505
_cod_original_formula_sum        'Hg.82 Cu3.18 Ba2 Ca2 O12.13'
_cod_database_code               9009224
_amcsd_formula_title             HgBa2Ca2Cu3O8+delta
The crystal structures of synthetic Re- and PGE-bearing magnesioferrite spinels: Implications for impacts, accretion and the mantle Sample: 111
Righter, K.; Downs, R. T.; Geophysical Research Letters 28 (2001) 619–622; doi:10.1029/2000GL012184

data_9009225
_publ_section_title
;The crystal structures of synthetic Re- and PGE-bearing magnesioferrite
 spinels: Implications for impacts, accretion and the mantle Sample: 111
;
_journal_name_full               'Geophysical Research Letters'
_journal_page_first              619
_journal_page_last               622
_journal_paper_doi               10.1029/2000GL012184
_journal_volume                  28
_journal_year                    2001
_chemical_formula_structural     (Fe.612Mg.305Re.083)2(Fe.756Mg.244)O4
_chemical_formula_sum            'Fe1.98 Mg0.854 O4 Re0.166'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.4158
_cell_length_b                   8.4158
_cell_length_c                   8.4158
_cell_formula_units_Z            8
_cell_volume                     596.055
_database_code_amcsd             0012666
_exptl_crystal_density_diffrn    5.042
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Fe1.98 Mg.854 Re.166 O4'
_cod_database_code               9009225
_amcsd_formula_title             (Fe.612Mg.305Re.083)2(Fe.756Mg.244)O4
The crystal structures of synthetic Re- and PGE-bearing magnesioferrite spinels: Implications for impacts, accretion and the mantle Sample: 116
Righter, K.; Downs, R. T.; Geophysical Research Letters 28 (2001) 619–622; doi:10.1029/2000GL012184

data_9009226
_publ_section_title
;The crystal structures of synthetic Re- and PGE-bearing magnesioferrite
 spinels: Implications for impacts, accretion and the mantle Sample: 116
;
_journal_name_full               'Geophysical Research Letters'
_journal_page_first              619
_journal_page_last               622
_journal_paper_doi               10.1029/2000GL012184
_journal_volume                  28
_journal_year                    2001
_chemical_formula_structural     (Fe.680Mg.282Re.038)2(Fe.784Mg.216)O4
_chemical_formula_sum            'Fe2.144 Mg0.78 O4 Re0.076'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.4055
_cell_length_b                   8.4055
_cell_length_c                   8.4055
_cell_formula_units_Z            8
_cell_volume                     593.869
_database_code_amcsd             0012667
_exptl_crystal_density_diffrn    4.851
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Fe2.144 Mg.78 Re.076 O4'
_cod_database_code               9009226
_amcsd_formula_title             (Fe.680Mg.282Re.038)2(Fe.784Mg.216)O4