LMucko/crystallography-open-database huggingface dataset:
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 280–281; doi:

data_9009148
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              280
_journal_page_last               281
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     MoS2
_chemical_formula_sum            'Mo S2'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.16
_cell_length_b                   3.16
_cell_length_c                   18.45
_cell_formula_units_Z            3
_cell_volume                     159.552
_database_code_amcsd             0011827
_exptl_crystal_density_diffrn    4.998
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               9009148
_amcsd_formula_title             MoS2
Second edition. Interscience Publishers, New York, New York
Wyckoff R W G; Crystal Structures 1 (1963) 282–287; doi:

data_9009149
_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)Cl
_chemical_formula_sum            'Cl 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                   5.86
_cell_length_b                   6.58
_cell_length_c                   11.33
_cell_volume                     436.871
_database_code_amcsd             0011828
_exptl_crystal_density_diffrn    3.584
_cod_original_formula_sum        'Zn (O Cl) H'
_cod_database_code               9009149
_amcsd_formula_title             Zn(OH)Cl
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 282–287; doi:

data_9009150
_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     Co(OH)Br
_chemical_formula_sum            'Br Co H O'
_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
_database_code_amcsd             0011829
_exptl_crystal_density_diffrn    4.414
_cod_original_formula_sum        'Co (O Br) H'
_cod_database_code               9009150
_amcsd_formula_title             Co(OH)Br
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 282–287; doi:

data_9009151
_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_original_formula_sum        'Cu (O Cl) H'
_cod_database_code               9009151
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 288–289; doi:

data_9009152
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              288
_journal_page_last               289
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     UO2F2
_chemical_formula_sum            'F2 O2 U'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.206
_cell_length_b                   4.206
_cell_length_c                   15.692
_cell_formula_units_Z            3
_cell_volume                     240.407
_database_code_amcsd             0011831
_exptl_crystal_density_diffrn    6.383
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'U O2 F2'
_cod_database_code               9009152
_amcsd_formula_title             UO2F2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 290–295; doi:

data_9009153
_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_original_formula_sum        'Mn (O2 H)'
_cod_database_code               9009153
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 290–295; doi:

data_9009154
_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            'Fe H O2'
_chemical_name_mineral           Lepidocrocite
_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                   12.4
_cell_length_b                   3.87
_cell_length_c                   3.06
_cell_volume                     146.843
_database_code_amcsd             0011833
_exptl_crystal_density_diffrn    4.019
_cod_original_formula_sum        'Fe O2 H'
_cod_database_code               9009154
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 290–295; doi:

data_9009155
_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            'Al H O2'
_chemical_name_mineral           Bohmite
_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                   12.227
_cell_length_b                   3.700
_cell_length_c                   2.866
_cell_volume                     129.658
_database_code_amcsd             0011834
_exptl_crystal_density_diffrn    3.073
_cod_original_formula_sum        'Al O2 H'
_cod_database_code               9009155
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 290–295; doi:

data_9009156
_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_structural     ScO(OH)
_chemical_formula_sum            'H O2 Sc'
_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                   13.01
_cell_length_b                   4.01
_cell_length_c                   3.24
_cell_volume                     169.031
_database_code_amcsd             0011835
_exptl_crystal_density_diffrn    3.064
_cod_original_formula_sum        'Sc O2 H'
_cod_database_code               9009156
_amcsd_formula_title             ScO(OH)
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 290–295; doi:

data_9009157
_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_original_formula_sum        'Cu (O2 H2)'
_cod_database_code               9009157
Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 294–296; doi:

data_9009158
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: tetragonal PbFCl structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              294
_journal_page_last               296
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     BaHBr
_chemical_formula_sum            'Ba Br H'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.564
_cell_length_b                   4.564
_cell_length_c                   7.428
_cell_formula_units_Z            2
_cell_volume                     154.726
_database_code_amcsd             0011837
_exptl_crystal_density_diffrn    4.684
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Ba H Br'
_cod_database_code               9009158
_amcsd_formula_title             BaHBr
Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 294–296; doi:

data_9009159
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: tetragonal PbFCl structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              294
_journal_page_last               296
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     BaHCl
_chemical_formula_sum            'Ba Cl H'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.408
_cell_length_b                   4.408
_cell_length_c                   7.202
_cell_formula_units_Z            2
_cell_volume                     139.938
_database_code_amcsd             0011838
_exptl_crystal_density_diffrn    4.124
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Ba H Cl'
_cod_database_code               9009159
_amcsd_formula_title             BaHCl
Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 294–296; doi:

data_9009160
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: tetragonal PbFCl structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              294
_journal_page_last               296
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     BaHI
_chemical_formula_sum            'Ba H I'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.828
_cell_length_b                   4.828
_cell_length_c                   7.867
_cell_formula_units_Z            2
_cell_volume                     183.376
_database_code_amcsd             0011839
_exptl_crystal_density_diffrn    4.804
_cod_original_cell_volume        183.377
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9009160
_amcsd_formula_title             BaHI
Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 294–296; doi:

data_9009161
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: tetragonal PbFCl structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              294
_journal_page_last               296
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     BiOBr
_chemical_formula_sum            'Bi Br O'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.916
_cell_length_b                   3.916
_cell_length_c                   8.077
_cell_formula_units_Z            2
_cell_volume                     123.861
_database_code_amcsd             0011840
_exptl_crystal_density_diffrn    8.175
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Bi O Br'
_cod_database_code               9009161
_amcsd_formula_title             BiOBr
Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 294–296; doi:

data_9009162
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: tetragonal PbFCl structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              294
_journal_page_last               296
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Bi Cl O'
_chemical_name_mineral           Bismoclite
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.891
_cell_length_b                   3.891
_cell_length_c                   7.369
_cell_formula_units_Z            2
_cell_volume                     111.566
_database_code_amcsd             0011841
_exptl_crystal_density_diffrn    7.753
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Bi O Cl'
_cod_database_code               9009162
Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 294–296; doi:

data_9009163
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: tetragonal PbFCl structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              294
_journal_page_last               296
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Bi F O'
_chemical_name_mineral           Zavaritskite
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.748
_cell_length_b                   3.748
_cell_length_c                   6.224
_cell_formula_units_Z            2
_cell_volume                     87.432
_database_code_amcsd             0011842
_exptl_crystal_density_diffrn    9.267
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Bi O F'
_cod_database_code               9009163
Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 294–296; doi:

data_9009164
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: tetragonal PbFCl structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              294
_journal_page_last               296
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     BiOI
_chemical_formula_sum            'Bi I O'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.985
_cell_length_b                   3.985
_cell_length_c                   9.129
_cell_formula_units_Z            2
_cell_volume                     144.971
_database_code_amcsd             0011843
_exptl_crystal_density_diffrn    8.061
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Bi O I'
_cod_database_code               9009164
_amcsd_formula_title             BiOI
Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 294–296; doi:

data_9009165
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: tetragonal PbFCl structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              294
_journal_page_last               296
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     CaHCl
_chemical_formula_sum            'Ca Cl H'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.851
_cell_length_b                   3.851
_cell_length_c                   6.861
_cell_formula_units_Z            2
_cell_volume                     101.750
_database_code_amcsd             0011844
_exptl_crystal_density_diffrn    2.498
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Ca H Cl'
_cod_database_code               9009165
_amcsd_formula_title             CaHCl
Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 294–296; doi:

data_9009166
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: tetragonal PbFCl structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              294
_journal_page_last               296
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     CaHBr
_chemical_formula_sum            'Br Ca H'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.858
_cell_length_b                   3.858
_cell_length_c                   7.911
_cell_formula_units_Z            2
_cell_volume                     117.749
_database_code_amcsd             0011845
_exptl_crystal_density_diffrn    3.412
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Ca H Br'
_cod_database_code               9009166
_amcsd_formula_title             CaHBr
Second edition. Interscience Publishers, New York, New York Note: tetragonal PbFCl structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 294–296; doi:

data_9009167
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: tetragonal PbFCl structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              294
_journal_page_last               296
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     CaHI
_chemical_formula_sum            'Ca H I'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.071
_cell_length_b                   4.071
_cell_length_c                   8.941
_cell_formula_units_Z            2
_cell_volume                     148.180
_database_code_amcsd             0011846
_exptl_crystal_density_diffrn    3.765
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9009167
_amcsd_formula_title             CaHI