LMucko/crystallography-open-database huggingface dataset:
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009087
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Brookite
_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_length_a                   9.184
_cell_length_b                   5.447
_cell_length_c                   5.145
_cell_formula_units_Z            8
_cell_volume                     257.380
_database_code_amcsd             0011766
_exptl_crystal_density_diffrn    4.123
_cod_original_formula_sum        'Ti O2'
_cod_database_code               9009087
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009088
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'O2 Te'
_chemical_name_mineral           Paratellurite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.805
_cell_length_b                   4.805
_cell_length_c                   7.609
_cell_formula_units_Z            4
_cell_volume                     175.677
_database_code_amcsd             0011767
_exptl_crystal_density_diffrn    6.034
_cod_original_formula_sum        'Te O2'
_cod_database_code               9009088
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009089
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     VO2
_chemical_formula_sum            'O2 V'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.60
_cell_angle_gamma                90
_cell_length_a                   5.743
_cell_length_b                   4.517
_cell_length_c                   5.375
_cell_formula_units_Z            4
_cell_volume                     117.466
_database_code_amcsd             0011768
_exptl_crystal_density_diffrn    4.690
_cod_original_formula_sum        'V O2'
_cod_database_code               9009089
_amcsd_formula_title             VO2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009090
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Mo O2'
_chemical_name_mineral           Tugarinovite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.983
_cell_angle_gamma                90
_cell_length_a                   5.584
_cell_length_b                   4.842
_cell_length_c                   5.608
_cell_formula_units_Z            4
_cell_volume                     129.993
_database_code_amcsd             0011769
_exptl_crystal_density_diffrn    6.537
_cod_database_code               9009090
Second edition. Interscience Publishers, New York, New York Note: known as alpha-PbO2
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009091
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: known as alpha-PbO2
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'O2 Pb'
_chemical_name_mineral           Scrutinyite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.947
_cell_length_b                   5.951
_cell_length_c                   5.497
_cell_formula_units_Z            4
_cell_volume                     161.829
_database_code_amcsd             0011770
_exptl_crystal_density_diffrn    9.818
_cod_original_formula_sum        'Pb O2'
_cod_database_code               9009091
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009092
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     ReO2
_chemical_formula_sum            'O2 Re'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.8094
_cell_length_b                   5.6433
_cell_length_c                   4.6007
_cell_formula_units_Z            4
_cell_volume                     124.867
_database_code_amcsd             0011771
_exptl_crystal_density_diffrn    11.607
_cod_original_formula_sum        'Re O2'
_cod_database_code               9009092
_amcsd_formula_title             ReO2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009093
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     NbO2
_chemical_formula_sum            'Nb O2'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   13.71
_cell_length_b                   13.71
_cell_length_c                   5.985
_cell_volume                     1124.965
_database_code_amcsd             0011772
_exptl_crystal_density_diffrn    5.900
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               9009093
_amcsd_formula_title             NbO2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009094
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     CuF2
_chemical_formula_sum            'Cu F2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.67
_cell_angle_gamma                90
_cell_length_a                   4.59
_cell_length_b                   4.54
_cell_length_c                   3.32
_cell_formula_units_Z            2
_cell_volume                     68.716
_database_code_amcsd             0011773
_exptl_crystal_density_diffrn    4.908
_cod_database_code               9009094
_amcsd_formula_title             CuF2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009095
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     CrF2
_chemical_formula_sum            'Cr F2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.50
_cell_angle_gamma                90
_cell_length_a                   4.732
_cell_length_b                   4.718
_cell_length_c                   3.505
_cell_formula_units_Z            2
_cell_volume                     77.748
_database_code_amcsd             0011774
_exptl_crystal_density_diffrn    3.844
_cod_database_code               9009095
_amcsd_formula_title             CrF2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009096
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     IrSe2
_chemical_formula_sum            'Ir Se2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.94
_cell_length_b                   5.93
_cell_length_c                   3.74
_cell_formula_units_Z            8
_cell_volume                     464.412
_database_code_amcsd             0011775
_exptl_crystal_density_diffrn    10.016
_cod_original_cell_volume        464.411
_cod_database_code               9009096
_amcsd_formula_title             IrSe2
Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009097
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium iodide structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     CaI2
_chemical_formula_sum            'Ca I2'
_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_length_a                   4.48
_cell_length_b                   4.48
_cell_length_c                   6.96
_cell_formula_units_Z            1
_cell_volume                     120.975
_database_code_amcsd             0011776
_exptl_crystal_density_diffrn    4.034
_cod_database_code               9009097
_amcsd_formula_title             CaI2
Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009098
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium iodide structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_mineral           Portlandite
_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                   3.5844
_cell_length_b                   3.5844
_cell_length_c                   4.8962
_cell_volume                     54.478
_database_code_amcsd             0011777
_exptl_crystal_density_diffrn    2.258
_cod_original_formula_sum        'Ca (O2 H2)'
_cod_database_code               9009098
Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009099
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium iodide structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     CoBr2
_chemical_formula_sum            'Br2 Co'
_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_length_a                   3.68
_cell_length_b                   3.68
_cell_length_c                   6.12
_cell_formula_units_Z            1
_cell_volume                     71.776
_database_code_amcsd             0011778
_exptl_crystal_density_diffrn    5.061
_cod_original_formula_sum        'Co Br2'
_cod_database_code               9009099
_amcsd_formula_title             CoBr2
Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009100
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium iodide structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     CoI2
_chemical_formula_sum            'Co I2'
_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_length_a                   3.96
_cell_length_b                   3.96
_cell_length_c                   6.65
_cell_formula_units_Z            1
_cell_volume                     90.311
_database_code_amcsd             0011779
_exptl_crystal_density_diffrn    5.750
_cod_database_code               9009100
_amcsd_formula_title             CoI2
Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009101
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium iodide structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Co(OH)2
_chemical_formula_sum            'Co H2 O2'
_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                   3.173
_cell_length_b                   3.173
_cell_length_c                   4.640
_cell_volume                     40.457
_database_code_amcsd             0011780
_exptl_crystal_density_diffrn    3.815
_cod_original_formula_sum        'Co (O2 H2)'
_cod_database_code               9009101
_amcsd_formula_title             Co(OH)2
Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009102
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium iodide structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     FeBr2
_chemical_formula_sum            'Br2 Fe'
_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_length_a                   3.74
_cell_length_b                   3.74
_cell_length_c                   6.17
_cell_formula_units_Z            1
_cell_volume                     74.741
_database_code_amcsd             0011781
_exptl_crystal_density_diffrn    4.791
_cod_original_formula_sum        'Fe Br2'
_cod_database_code               9009102
_amcsd_formula_title             FeBr2
Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009103
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium iodide structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     FeI2
_chemical_formula_sum            'Fe I2'
_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_length_a                   4.04
_cell_length_b                   4.04
_cell_length_c                   6.75
_cell_formula_units_Z            1
_cell_volume                     95.411
_database_code_amcsd             0011782
_exptl_crystal_density_diffrn    5.389
_cod_database_code               9009103
_amcsd_formula_title             FeI2
Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009104
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium iodide structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Fe H2 O2'
_chemical_name_mineral           Amakinite
_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_length_a                   3.258
_cell_length_b                   3.258
_cell_formula_units_Z            1
_cell_length_c                   4.605
_cell_volume                     42.331
_database_code_amcsd             0011783
_exptl_crystal_density_diffrn    3.525
_cod_original_formula_sum        'Fe (O2 H2)'
_cod_database_code               9009104
Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009105
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium iodide structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     GeI2
_chemical_formula_sum            'Ge I2'
_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                   4.13
_cell_length_b                   4.13
_cell_length_c                   6.79
_cell_volume                     100.300
_database_code_amcsd             0011784
_exptl_crystal_density_diffrn    5.404
_cod_database_code               9009105
_amcsd_formula_title             GeI2
Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009106
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium iodide structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Ir Te2'
_chemical_name_mineral           Shuangfengite
_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_length_a                   3.93
_cell_length_b                   3.93
_cell_length_c                   5.393
_cell_formula_units_Z            1
_cell_volume                     72.135
_database_code_amcsd             0011785
_exptl_crystal_density_diffrn    10.300
_cod_database_code               9009106
Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009107
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium iodide structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     MgBr2
_chemical_formula_sum            'Br2 Mg'
_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                   3.81
_cell_length_b                   3.81
_cell_length_c                   6.26
_cell_volume                     78.696
_database_code_amcsd             0011786
_exptl_crystal_density_diffrn    3.885
_cod_original_formula_sum        'Mg Br2'
_cod_database_code               9009107
_amcsd_formula_title             MgBr2