LMucko/crystallography-open-database huggingface dataset:
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008964
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     PdSe
_chemical_formula_sum            'Pd S'
_space_group_IT_number           84
_symmetry_space_group_name_Hall  '-P 4c'
_symmetry_space_group_name_H-M   'P 42/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.72
_cell_length_b                   6.72
_cell_length_c                   6.90
_cell_formula_units_Z            8
_cell_volume                     311.593
_database_code_amcsd             0011642
_exptl_crystal_density_diffrn    5.904
_cod_database_code               9008964
_amcsd_formula_title             PdSe
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008965
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     CrS.97
_chemical_formula_sum            'Cr S0.97'
_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                 101.60
_cell_angle_gamma                90
_cell_length_a                   3.826
_cell_length_b                   5.913
_cell_length_c                   6.089
_cell_formula_units_Z            4
_cell_volume                     134.939
_exptl_crystal_density_diffrn    4.090
_cod_original_formula_sum        'Cr S.97'
_cod_database_code               9008965
_database_code_amcsd 0011643
_cod_duplicate_entry 9007443
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008966
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     GaS
_chemical_formula_sum            'Ga S'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.585
_cell_length_b                   3.585
_cell_length_c                   15.50
_cell_formula_units_Z            4
_cell_volume                     172.520
_database_code_amcsd             0011644
_exptl_crystal_density_diffrn    3.919
_cod_database_code               9008966
_amcsd_formula_title             GaS
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008967
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     InSe
_chemical_formula_sum            'In Se'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.05
_cell_length_b                   4.05
_cell_length_c                   16.93
_cell_formula_units_Z            4
_cell_volume                     240.490
_database_code_amcsd             0011645
_exptl_crystal_density_diffrn    5.352
_cod_database_code               9008967
_amcsd_formula_title             InSe
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008968
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     GaSe
_chemical_formula_sum            'Ga Se'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.742
_cell_length_b                   3.742
_cell_length_c                   15.919
_cell_formula_units_Z            4
_cell_volume                     193.043
_database_code_amcsd             0011646
_exptl_crystal_density_diffrn    5.116
_cod_database_code               9008968
_amcsd_formula_title             GaSe
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008969
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     TiP
_chemical_formula_sum            'P Ti'
_chemical_name_mineral           Badengzhuite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.513
_cell_length_b                   3.513
_cell_length_c                   11.75
_cell_formula_units_Z            4
_cell_volume                     125.581
_database_code_amcsd             0011647
_exptl_crystal_density_diffrn    4.171
_cod_original_formula_sum        'Ti P'
_cod_database_code               9008969
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008970
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     ZrAs
_chemical_formula_sum            'As Zr'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.804
_cell_length_b                   3.804
_cell_length_c                   12.867
_cell_formula_units_Z            4
_cell_volume                     161.246
_database_code_amcsd             0011648
_exptl_crystal_density_diffrn    6.844
_cod_original_formula_sum        'Zr As'
_cod_database_code               9008970
_amcsd_formula_title             ZrAs
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008971
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Ti2CS
_chemical_formula_sum            'C S Ti2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.210
_cell_length_b                   3.210
_cell_length_c                   11.20
_cell_formula_units_Z            2
_cell_volume                     99.944
_database_code_amcsd             0011649
_exptl_crystal_density_diffrn    4.647
_cod_original_formula_sum        'Ti2 C S'
_cod_database_code               9008971
_amcsd_formula_title             Ti2CS
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008972
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Zr2CS
_chemical_formula_sum            'C S Zr2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.396
_cell_length_b                   3.396
_cell_length_c                   12.11
_cell_formula_units_Z            2
_cell_volume                     120.951
_database_code_amcsd             0011650
_exptl_crystal_density_diffrn    6.220
_cod_original_formula_sum        'Zr2 C S'
_cod_database_code               9008972
_amcsd_formula_title             Zr2CS
Second edition. Interscience Publishers, New York, New York Note: beta form
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008973
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: beta form
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     NbP
_chemical_formula_sum            'Nb P'
_space_group_IT_number           98
_symmetry_space_group_name_Hall  'I 4bw 2bw'
_symmetry_space_group_name_H-M   'I 41 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.325
_cell_length_b                   3.325
_cell_length_c                   11.38
_cell_formula_units_Z            4
_cell_volume                     125.813
_database_code_amcsd             0011651
_exptl_crystal_density_diffrn    6.540
_cod_database_code               9008973
_amcsd_formula_title             NbP
Second edition. Interscience Publishers, New York, New York Note: beta form
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008974
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: beta form
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     TaP
_chemical_formula_sum            'P Ta'
_space_group_IT_number           98
_symmetry_space_group_name_Hall  'I 4bw 2bw'
_symmetry_space_group_name_H-M   'I 41 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.330
_cell_length_b                   3.330
_cell_length_c                   11.39
_cell_formula_units_Z            4
_cell_volume                     126.303
_database_code_amcsd             0011652
_exptl_crystal_density_diffrn    11.145
_cod_original_formula_sum        'Ta P'
_cod_database_code               9008974
_amcsd_formula_title             TaP
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008975
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     TaN
_chemical_formula_sum            'N Ta'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.191
_cell_length_b                   5.191
_cell_length_c                   2.908
_cell_formula_units_Z            3
_cell_volume                     67.862
_database_code_amcsd             0011653
_exptl_crystal_density_diffrn    14.311
_cod_original_formula_sum        'Ta N'
_cod_database_code               9008975
_amcsd_formula_title             TaN
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008976
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Ti2O
_chemical_formula_sum            'O Ti2'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.991
_cell_length_b                   4.991
_cell_length_c                   2.879
_cell_formula_units_Z            1
_cell_volume                     62.108
_database_code_amcsd             0011654
_exptl_crystal_density_diffrn    4.482
_cod_original_formula_sum        'Ti O.5'
_cod_database_code               9008976
_amcsd_formula_title             Ti2O
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008977
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Hg2F2
_chemical_formula_sum            'F Hg'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.66
_cell_length_b                   3.66
_cell_length_c                   10.9
_cell_formula_units_Z            4
_cell_volume                     146.012
_database_code_amcsd             0011655
_exptl_crystal_density_diffrn    9.989
_cod_original_formula_sum        'Hg F'
_cod_database_code               9008977
_amcsd_formula_title             Hg2F2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008978
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Cl Hg'
_chemical_name_mineral           Calomel
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.478
_cell_length_b                   4.478
_cell_length_c                   10.91
_cell_formula_units_Z            4
_cell_volume                     218.773
_database_code_amcsd             0011656
_exptl_crystal_density_diffrn    7.166
_cod_original_formula_sum        'Hg Cl'
_cod_database_code               9008978
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008979
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Br Hg'
_chemical_name_mineral           Kuzminite
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.65
_cell_length_b                   4.65
_cell_length_c                   11.10
_cell_formula_units_Z            4
_cell_volume                     240.010
_database_code_amcsd             0011657
_exptl_crystal_density_diffrn    7.763
_cod_original_formula_sum        'Hg Br'
_cod_database_code               9008979
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008980
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Hg2I2
_chemical_formula_sum            'Hg I'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.933
_cell_length_b                   4.933
_cell_length_c                   11.633
_cell_formula_units_Z            4
_cell_volume                     283.083
_database_code_amcsd             0011658
_exptl_crystal_density_diffrn    7.684
_cod_database_code               9008980
_amcsd_formula_title             Hg2I2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008981
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     TlI
_chemical_formula_sum            'I Tl'
_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                   4.582
_cell_length_b                   12.92
_cell_length_c                   5.251
_cell_formula_units_Z            4
_cell_volume                     310.856
_database_code_amcsd             0011659
_exptl_crystal_density_diffrn    7.079
_cod_original_formula_sum        'Tl I'
_cod_database_code               9008981
_amcsd_formula_title             TlI
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008982
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     InBr
_chemical_formula_sum            'Br In'
_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                   4.46
_cell_length_b                   12.39
_cell_length_c                   4.73
_cell_formula_units_Z            4
_cell_volume                     261.377
_database_code_amcsd             0011660
_exptl_crystal_density_diffrn    4.948
_cod_original_formula_sum        'In Br'
_cod_database_code               9008982
_amcsd_formula_title             InBr
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008983
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     InI
_chemical_formula_sum            'I In'
_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                   4.75
_cell_length_b                   12.76
_cell_length_c                   4.91
_cell_formula_units_Z            4
_cell_volume                     297.595
_database_code_amcsd             0011661
_exptl_crystal_density_diffrn    5.395
_cod_original_formula_sum        'In I'
_cod_database_code               9008983
_amcsd_formula_title             InI
Second edition. Interscience Publishers, New York, New York Lithium cyanide
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008984
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Lithium cyanide
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     LiCN
_chemical_formula_sum            'C Li N'
_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                   6.52
_cell_length_b                   8.73
_cell_length_c                   3.73
_cell_formula_units_Z            4
_cell_volume                     212.310
_database_code_amcsd             0011662
_exptl_crystal_density_diffrn    1.031
_cod_original_formula_sum        'Li C N'
_cod_database_code               9008984
_amcsd_formula_title             LiCN