LMucko/crystallography-open-database huggingface dataset:
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 282–287; doi:

data_9011544
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              282
_journal_page_last               287
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Zn(OH)Br
_chemical_formula_sum            'Br H O Zn'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.903
_cell_length_b                   6.700
_cell_length_c                   11.86
_cell_volume                     469.064
_cod_data_source_file            10795.cif
_cod_data_source_block           global
_cod_original_formula_sum        'Zn O Br H'
_cod_database_code               9011544
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 282–287; doi:

data_9011545
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              282
_journal_page_last               287
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Cl Cu H O'
_chemical_name_mineral           Belloite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.88
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.555
_cell_length_b                   6.671
_cell_length_c                   6.127
_cell_volume                     205.978
_database_code_amcsd             0011830
_exptl_crystal_density_diffrn    3.741
_cod_duplicate_entry             9009151
_cod_original_formula_sum        'Cu (O Cl) H'
_cod_database_code               9011545
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 290–295; doi:

data_9011546
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              290
_journal_page_last               295
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'H Mn O2'
_chemical_name_mineral           Groutite
_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_formula_units_Z            4
_cell_length_a                   4.56
_cell_length_b                   10.70
_cell_length_c                   2.85
_cell_volume                     139.057
_database_code_amcsd             0011832
_exptl_crystal_density_diffrn    4.201
_cod_duplicate_entry             9009153
_cod_original_formula_sum        'Mn (O2 H)'
_cod_database_code               9011546
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 290–295; doi:

data_9011547
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              290
_journal_page_last               295
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Cu H2 O2'
_chemical_name_mineral           Spertiniite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.59
_cell_length_b                   5.256
_cell_length_c                   2.949
_cell_volume                     164.144
_database_code_amcsd             0011836
_exptl_crystal_density_diffrn    3.948
_cod_duplicate_entry             9009157
_cod_original_formula_sum        'Cu (O2 H2)'
_cod_database_code               9011547
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 298–306; doi:

data_9011548
_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_sum            'Cl H O Pb'
_chemical_name_mineral           Laurionite
_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_formula_units_Z            4
_cell_length_a                   9.7
_cell_length_b                   7.1
_cell_length_c                   4.05
_cell_volume                     278.923
_database_code_amcsd             0011877
_exptl_crystal_density_diffrn    6.183
_cod_duplicate_entry             9009198
_cod_original_cell_volume        278.924
_cod_original_formula_sum        'Pb (O Cl) H'
_cod_database_code               9011548
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 298–306; doi:

data_9011549
_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     Pb(OH)I
_chemical_formula_sum            'H I O Pb'
_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_formula_units_Z            4
_cell_length_a                   10.41
_cell_length_b                   7.80
_cell_length_c                   4.19
_cell_volume                     340.220
_database_code_amcsd             0011878
_exptl_crystal_density_diffrn    6.855
_cod_duplicate_entry             9009199
_cod_original_formula_sum        'Pb (O I) H'
_cod_database_code               9011549
High-pressure polymorphism in cesium Sample: at P = 4.1 GPa & T = 27 C Note: known as Cesium-II Note: stable between 2.37 GPa & 4.22 GPa
Hall, H. T.; Merrill, L.; Barnett, J. D.; Science 146 (1964) 1297–1299; doi:10.1126/science.146.3649.1297

data_9011550
_publ_section_title
;
 High-pressure polymorphism in cesium
 Sample: at P = 4.1 GPa & T = 27 C
 Note: known as Cesium-II
 Note: stable between 2.37 GPa & 4.22 GPa
;
_journal_name_full               Science
_journal_page_first              1297
_journal_page_last               1299
_journal_paper_doi               10.1126/science.146.3649.1297
_journal_volume                  146
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            Cs
_chemical_name_mineral           Cesium
_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_length_a                   5.984
_cell_length_b                   5.984
_cell_length_c                   5.984
_cell_formula_units_Z            4
_cell_volume                     214.277
_database_code_amcsd             0015415
_diffrn_ambient_pressure         4.1e+06
_diffrn_ambient_temperature      300.15
_exptl_crystal_density_diffrn    4.120
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9011550
High-pressure polymorphism in cesium Sample: at P = 4.25 GPa & T = 27 C Note: known as Cesium-III Note: stable between 4.22 GPa & 4.27 GPa
Hall, H. T.; Merrill, L.; Barnett, J. D.; Science 146 (1964) 1297–1299; doi:10.1126/science.146.3649.1297

data_9011551
_publ_section_title
;
 High-pressure polymorphism in cesium
 Sample: at P = 4.25 GPa & T = 27 C
 Note: known as Cesium-III
 Note: stable between 4.22 GPa & 4.27 GPa
;
_journal_name_full               Science
_journal_page_first              1297
_journal_page_last               1299
_journal_paper_doi               10.1126/science.146.3649.1297
_journal_volume                  146
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            Cs
_chemical_name_mineral           Cesium
_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_length_a                   5.800
_cell_length_b                   5.800
_cell_length_c                   5.800
_cell_formula_units_Z            4
_cell_volume                     195.112
_database_code_amcsd             0015416
_diffrn_ambient_pressure         4.25e+06
_diffrn_ambient_temperature      300.15
_exptl_crystal_density_diffrn    4.524
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9011551
Rhodizite. Structure and composition
Buerger, M. J.; Taxer, K.; Science 152 (1966) 500–502; doi:10.1126/science.152.3721.500

data_9011552
_publ_section_title
;
 Rhodizite. Structure and composition
;
_journal_name_full               Science
_journal_page_first              500
_journal_page_last               502
_journal_paper_doi               10.1126/science.152.3721.500
_journal_volume                  152
_journal_year                    1966
_chemical_compound_source        'Manjaka, Madagascar'
_chemical_formula_sum            'Al4 B12 Be4 Cs O28'
_chemical_name_mineral           Rhodizite
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.319
_cell_length_b                   7.319
_cell_length_c                   7.319
_cell_formula_units_Z            1
_cell_volume                     392.062
_database_code_amcsd             0015418
_exptl_crystal_density_diffrn    3.620
_cod_original_formula_sum        'Cs Al4 Be4 B12 O28'
_cod_database_code               9011552
Garnet-like structures of high-pressure cadmium germanate and calcium germanate Note: changed O2(y) to -.0500 to match reported bond distances
Prewitt, C. T.; Sleight, A. W.; Science 163 (1969) 386–387; doi:10.1126/science.163.3865.386

data_9011553
_publ_section_title
;Garnet-like structures of high-pressure cadmium germanate and calcium
 germanate Note: changed O2(y) to -.0500 to match reported bond distances
;
_journal_name_full               Science
_journal_page_first              386
_journal_page_last               387
_journal_paper_doi               10.1126/science.163.3865.386
_journal_volume                  163
_journal_year                    1969
_chemical_formula_structural     CdGeO3
_chemical_formula_sum            'Cd Ge O3'
_symmetry_space_group_name_H-M   'I 41/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.406
_cell_length_b                   12.406
_cell_length_c                   12.256
_cell_formula_units_Z            32
_cell_volume                     1886.307
_database_code_amcsd             0015419
_exptl_crystal_density_diffrn    6.564
_cod_database_code               9011553
_amcsd_formula_title             CdGeO3
Tuhualite crystal structure Locality: Mayor Island, New Zealand Note: Position of H2O not determined in paper
Merlino, S.; Science 166 (1969) 1399–1401; doi:10.1126/science.166.3911.1399

data_9011554
_publ_section_title
;
 Tuhualite crystal structure
 Locality: Mayor Island, New Zealand
 Note: Position of H2O not determined in paper
;
_journal_name_full               Science
_journal_page_first              1399
_journal_page_last               1401
_journal_paper_doi               10.1126/science.166.3911.1399
_journal_volume                  166
_journal_year                    1969
_chemical_formula_sum            'Fe2 Na O15 Si6'
_chemical_name_mineral           Tuhualite
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.31
_cell_length_b                   17.28
_cell_length_c                   10.11
_cell_formula_units_Z            8
_cell_volume                     2499.968
_exptl_crystal_density_diffrn    2.886
_cod_original_cell_volume        2499.969
_cod_original_sg_symbol_H-M      'C m c a'
_cod_original_formula_sum        'Fe2 Si6 O15 Na'
_cod_database_code               9011554
_database_code_amcsd 0015420
Ammonioborite: New borate polyion and its structure
Merlino, S.; Sartori, F.; Science 171 (1971) 377–379; doi:10.1126/science.171.3969.377

data_9011555
_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 H1.6 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
_database_code_amcsd             0015421
_exptl_crystal_density_diffrn    1.730
_cod_data_source_file            10866.cif
_cod_data_source_block           global
_cod_original_formula_sum        'N3 B15 O32 H1.6'
_cod_database_code               9011555
Lithium, compression and high-pressure structure Sample: at P = 3.3 GPa, T = 296 K Note: film # 2-3
Olinger, B.; Shaner, J. W.; Science 219 (1983) 1071–1072; doi:10.1126/science.219.4588.1071

data_9011556
_publ_section_title
;
 Lithium, compression and high-pressure structure
 Sample: at P = 3.3 GPa, T = 296 K
 Note: film # 2-3
;
_journal_name_full               Science
_journal_page_first              1071
_journal_page_last               1072
_journal_paper_doi               10.1126/science.219.4588.1071
_journal_volume                  219
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            Li
_chemical_name_mineral           Lithium
_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_length_a                   3.285
_cell_length_b                   3.285
_cell_length_c                   3.285
_cell_formula_units_Z            2
_cell_volume                     35.449
_database_code_amcsd             0015422
_diffrn_ambient_pressure         3.3e+06
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    0.650
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011556
Lithium, compression and high-pressure structure Sample: at P = 3.5 GPa, T = 296 K Note: film # 4-4
Olinger, B.; Shaner, J. W.; Science 219 (1983) 1071–1072; doi:10.1126/science.219.4588.1071

data_9011557
_publ_section_title
;
 Lithium, compression and high-pressure structure
 Sample: at P = 3.5 GPa, T = 296 K
 Note: film # 4-4
;
_journal_name_full               Science
_journal_page_first              1071
_journal_page_last               1072
_journal_paper_doi               10.1126/science.219.4588.1071
_journal_volume                  219
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            Li
_chemical_name_mineral           Lithium
_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_length_a                   3.272
_cell_length_b                   3.272
_cell_length_c                   3.272
_cell_formula_units_Z            2
_cell_volume                     35.030
_database_code_amcsd             0015423
_diffrn_ambient_pressure         3.5e+06
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    0.658
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011557
Lithium, compression and high-pressure structure Sample: at P = 4.7 GPa, T = 296 K Note: film # 4-5
Olinger, B.; Shaner, J. W.; Science 219 (1983) 1071–1072; doi:10.1126/science.219.4588.1071

data_9011558
_publ_section_title
;
 Lithium, compression and high-pressure structure
 Sample: at P = 4.7 GPa, T = 296 K
 Note: film # 4-5
;
_journal_name_full               Science
_journal_page_first              1071
_journal_page_last               1072
_journal_paper_doi               10.1126/science.219.4588.1071
_journal_volume                  219
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            Li
_chemical_name_mineral           Lithium
_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_length_a                   3.216
_cell_length_b                   3.216
_cell_length_c                   3.216
_cell_formula_units_Z            2
_cell_volume                     33.262
_database_code_amcsd             0015424
_diffrn_ambient_pressure         4.7e+06
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    0.693
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011558
Lithium, compression and high-pressure structure Sample: at P = 4.7 GPa, T = 296 K Note: film # 2-4
Olinger, B.; Shaner, J. W.; Science 219 (1983) 1071–1072; doi:10.1126/science.219.4588.1071

data_9011559
_publ_section_title
;
 Lithium, compression and high-pressure structure
 Sample: at P = 4.7 GPa, T = 296 K
 Note: film # 2-4
;
_journal_name_full               Science
_journal_page_first              1071
_journal_page_last               1072
_journal_paper_doi               10.1126/science.219.4588.1071
_journal_volume                  219
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            Li
_chemical_name_mineral           Lithium
_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_length_a                   3.217
_cell_length_b                   3.217
_cell_length_c                   3.217
_cell_formula_units_Z            2
_cell_volume                     33.293
_database_code_amcsd             0015425
_diffrn_ambient_pressure         4.7e+06
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    0.692
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011559
Lithium, compression and high-pressure structure Sample: at P = 6.6 GPa, T = 296 K Note: film # 2-5
Olinger, B.; Shaner, J. W.; Science 219 (1983) 1071–1072; doi:10.1126/science.219.4588.1071

data_9011560
_publ_section_title
;
 Lithium, compression and high-pressure structure
 Sample: at P = 6.6 GPa, T = 296 K
 Note: film # 2-5
;
_journal_name_full               Science
_journal_page_first              1071
_journal_page_last               1072
_journal_paper_doi               10.1126/science.219.4588.1071
_journal_volume                  219
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            Li
_chemical_name_mineral           Lithium
_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_length_a                   3.161
_cell_length_b                   3.161
_cell_length_c                   3.161
_cell_formula_units_Z            2
_cell_volume                     31.584
_database_code_amcsd             0015426
_diffrn_ambient_pressure         6.6e+06
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    0.730
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011560
Lithium, compression and high-pressure structure Sample: at P = 8.0 GPa, T = 296 K Note: film # 4-7
Olinger, B.; Shaner, J. W.; Science 219 (1983) 1071–1072; doi:10.1126/science.219.4588.1071

data_9011561
_publ_section_title
;
 Lithium, compression and high-pressure structure
 Sample: at P = 8.0 GPa, T = 296 K
 Note: film # 4-7
;
_journal_name_full               Science
_journal_page_first              1071
_journal_page_last               1072
_journal_paper_doi               10.1126/science.219.4588.1071
_journal_volume                  219
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            Li
_chemical_name_mineral           Lithium
_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_length_a                   3.900
_cell_length_b                   3.900
_cell_length_c                   3.900
_cell_formula_units_Z            4
_cell_volume                     59.319
_database_code_amcsd             0015427
_diffrn_ambient_pressure         8e+06
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    0.777
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9011561