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_9008985
_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     CaCl
_chemical_formula_sum            'Ca Cl'
_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             0011663
_exptl_crystal_density_diffrn    2.465
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9008985
_amcsd_formula_title             CaCl
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008986
_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     AuI
_chemical_formula_sum            'Au I'
_space_group_IT_number           138
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.35
_cell_length_b                   4.35
_cell_length_c                   13.73
_cell_formula_units_Z            4
_cell_volume                     259.806
_database_code_amcsd             0011664
_exptl_crystal_density_diffrn    8.280
_cod_original_sg_symbol_H-M      'P 42/n c m'
_cod_database_code               9008986
_amcsd_formula_title             AuI
Second edition. Interscience Publishers, New York, New York Lithium peroxide
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008987
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Lithium peroxide
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Li2O2
_chemical_formula_sum            'Li2 O2'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.142
_cell_length_b                   3.142
_cell_length_c                   7.650
_cell_formula_units_Z            2
_cell_volume                     65.404
_database_code_amcsd             0011665
_exptl_crystal_density_diffrn    2.330
_cod_database_code               9008987
_amcsd_formula_title             Li2O2
Second edition. Interscience Publishers, New York, New York Sodium peroxide
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008988
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Sodium peroxide
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Na2O2
_chemical_formula_sum            'Na2 O2'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.208
_cell_length_b                   6.208
_cell_length_c                   4.460
_cell_formula_units_Z            3
_cell_volume                     148.857
_database_code_amcsd             0011666
_exptl_crystal_density_diffrn    2.610
_cod_database_code               9008988
_amcsd_formula_title             Na2O2
Second edition. Interscience Publishers, New York, New York Potassium peroxide
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008989
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Potassium peroxide
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     K2O2
_chemical_formula_sum            'K2 O2'
_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                   6.736
_cell_length_b                   7.001
_cell_length_c                   6.479
_cell_formula_units_Z            4
_cell_volume                     305.541
_exptl_crystal_density_diffrn    2.396
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9008989
_database_code_amcsd 0011667
Second edition. Interscience Publishers, New York, New York Rubidium peroxide
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008990
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Rubidium peroxide
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Rb2O2
_chemical_formula_sum            'O2 Rb2'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.201
_cell_length_b                   7.075
_cell_length_c                   5.983
_cell_formula_units_Z            2
_cell_volume                     177.827
_database_code_amcsd             0011668
_exptl_crystal_density_diffrn    3.790
_cod_original_formula_sum        'Rb O'
_cod_database_code               9008990
_amcsd_formula_title             Rb2O2
Second edition. Interscience Publishers, New York, New York Cesium peroxide
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008991
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Cesium peroxide
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     Cs2O2
_chemical_formula_sum            'Cs2 O2'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.322
_cell_length_b                   7.517
_cell_length_c                   6.430
_cell_formula_units_Z            2
_cell_volume                     208.901
_database_code_amcsd             0011669
_exptl_crystal_density_diffrn    4.735
_cod_database_code               9008991
_amcsd_formula_title             Cs2O2
Second edition. Interscience Publishers, New York, New York Iodine monochloride
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008992
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Iodine monochloride
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     ICl
_chemical_formula_sum            'Cl I'
_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                 119.50
_cell_angle_gamma                90
_cell_length_a                   12.60
_cell_length_b                   4.38
_cell_length_c                   11.90
_cell_formula_units_Z            8
_cell_volume                     571.595
_database_code_amcsd             0011670
_exptl_crystal_density_diffrn    3.773
_cod_original_formula_sum        'I Cl'
_cod_database_code               9008992
_amcsd_formula_title             ICl
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008993
_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            'As S'
_chemical_name_mineral           Realgar
_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                 106.62
_cell_angle_gamma                90
_cell_length_a                   9.27
_cell_length_b                   13.50
_cell_length_c                   6.56
_cell_formula_units_Z            16
_cell_volume                     786.654
_exptl_crystal_density_diffrn    3.613
_cod_database_code               9008993
_database_code_amcsd 0011671
_cod_duplicate_entry 9010974
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008994
_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     N4S4
_chemical_formula_sum            'N S'
_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                 87.50
_cell_angle_gamma                90
_cell_length_a                   8.75
_cell_length_b                   7.16
_cell_length_c                   8.65
_cell_formula_units_Z            16
_cell_volume                     541.407
_database_code_amcsd             0011672
_exptl_crystal_density_diffrn    2.261
_cod_original_formula_sum        'S N'
_cod_database_code               9008994
_amcsd_formula_title             N4S4
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008995
_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     B4Cl4
_chemical_formula_sum            'B Cl'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.09
_cell_length_b                   8.09
_cell_length_c                   5.45
_cell_formula_units_Z            8
_cell_volume                     356.692
_database_code_amcsd             0011673
_exptl_crystal_density_diffrn    1.723
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_original_formula_sum        'Cl B'
_cod_database_code               9008995
_amcsd_formula_title             B4Cl4
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008996
_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     B8Cl8
_chemical_formula_sum            'B Cl'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.64
_cell_length_b                   7.85
_cell_length_c                   12.91
_cell_formula_units_Z            32
_cell_volume                     1382.325
_database_code_amcsd             0011674
_exptl_crystal_density_diffrn    1.778
_cod_original_formula_sum        'Cl B'
_cod_database_code               9008996
_amcsd_formula_title             B8Cl8
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 85–237; doi:

data_9008997
_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     BN
_chemical_formula_sum            'B N'
_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                   2.50399
_cell_length_b                   2.50399
_cell_length_c                   6.6612
_cell_formula_units_Z            2
_cell_volume                     36.170
_database_code_amcsd             0011675
_exptl_crystal_density_diffrn    2.279
_cod_database_code               9008997
_amcsd_formula_title             BN
Second edition. Interscience Publishers, New York, New York Fluorite structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9008998
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Fluorite structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     AmO2
_chemical_formula_sum            'Am O2'
_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                   5.376
_cell_length_b                   5.376
_cell_length_c                   5.376
_cell_formula_units_Z            4
_cell_volume                     155.374
_database_code_amcsd             0011676
_exptl_crystal_density_diffrn    11.756
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9008998
_amcsd_formula_title             AmO2
Second edition. Interscience Publishers, New York, New York Fluorite structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9008999
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Fluorite structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     AuAl2
_chemical_formula_sum            'Al2 Au'
_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                   6.00
_cell_length_b                   6.00
_cell_length_c                   6.00
_cell_formula_units_Z            4
_cell_volume                     216.000
_database_code_amcsd             0011677
_exptl_crystal_density_diffrn    7.716
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Au Al2'
_cod_database_code               9008999
_amcsd_formula_title             AuAl2
Second edition. Interscience Publishers, New York, New York Fluorite structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009000
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Fluorite structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     AuGa2
_chemical_formula_sum            'Au Ga2'
_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                   6.063
_cell_length_b                   6.063
_cell_length_c                   6.063
_cell_formula_units_Z            4
_cell_volume                     222.876
_database_code_amcsd             0011678
_exptl_crystal_density_diffrn    10.026
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9009000
_amcsd_formula_title             AuGa2
Second edition. Interscience Publishers, New York, New York Fluorite structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009001
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Fluorite structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     AuIn2
_chemical_formula_sum            'Au In2'
_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                   6.502
_cell_length_b                   6.502
_cell_length_c                   6.502
_cell_formula_units_Z            4
_cell_volume                     274.879
_database_code_amcsd             0011679
_exptl_crystal_density_diffrn    10.309
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9009001
_amcsd_formula_title             AuIn2
Second edition. Interscience Publishers, New York, New York Fluorite structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009002
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Fluorite structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     AuSb2
_chemical_formula_sum            'Au Sb2'
_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                   6.656
_cell_length_b                   6.656
_cell_length_c                   6.656
_cell_formula_units_Z            4
_cell_volume                     294.876
_database_code_amcsd             0011680
_exptl_crystal_density_diffrn    9.922
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9009002
_amcsd_formula_title             AuSb2
Second edition. Interscience Publishers, New York, New York Fluorite structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009003
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Fluorite structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     BaCl2
_chemical_formula_sum            'Ba Cl2'
_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                   7.34
_cell_length_b                   7.34
_cell_length_c                   7.34
_cell_formula_units_Z            4
_cell_volume                     395.447
_database_code_amcsd             0011681
_exptl_crystal_density_diffrn    3.498
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9009003
_amcsd_formula_title             BaCl2
Second edition. Interscience Publishers, New York, New York Fluorite structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009004
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Fluorite structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Ba F2'
_chemical_name_mineral           Frankdicksonite
_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                   6.2001
_cell_length_b                   6.2001
_cell_length_c                   6.2001
_cell_formula_units_Z            4
_cell_volume                     238.340
_database_code_amcsd             0011682
_exptl_crystal_density_diffrn    4.886
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9009004
Second edition. Interscience Publishers, New York, New York Fluorite structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009005
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Fluorite structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Ca F2'
_chemical_name_mineral           Fluorite
_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                   5.46295
_cell_length_b                   5.46295
_cell_length_c                   5.46295
_cell_formula_units_Z            4
_cell_volume                     163.035
_database_code_amcsd             0011683
_exptl_crystal_density_diffrn    3.181
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9009005