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

data_9009128
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium chloride structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Cl2 Fe'
_chemical_name_mineral           Lawrencite
_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_formula_units_Z            3
_cell_length_a                   3.579
_cell_length_b                   3.579
_cell_length_c                   17.536
_cell_volume                     194.529
_database_code_amcsd             0011807
_exptl_crystal_density_diffrn    3.246
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Fe Cl2'
_cod_database_code               9009128
Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009129
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium chloride structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Cl2 Mg'
_chemical_name_mineral           Chloromagnesite
_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                   3.596
_cell_length_b                   3.596
_cell_length_c                   17.589
_cell_formula_units_Z            3
_cell_volume                     196.975
_database_code_amcsd             0011808
_exptl_crystal_density_diffrn    2.408
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Mg Cl2'
_cod_database_code               9009129
Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009130
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium chloride structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            'Cl2 Mn'
_chemical_name_mineral           Scacchite
_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                   3.686
_cell_length_b                   3.686
_cell_length_c                   17.470
_cell_formula_units_Z            3
_cell_volume                     205.558
_database_code_amcsd             0011809
_exptl_crystal_density_diffrn    3.050
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Mn Cl2'
_cod_database_code               9009130
Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009131
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium chloride structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     NiBr2
_chemical_formula_sum            'Br2 Ni'
_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                   3.708
_cell_length_b                   3.708
_cell_length_c                   18.300
_cell_formula_units_Z            3
_cell_volume                     217.902
_database_code_amcsd             0011810
_exptl_crystal_density_diffrn    4.995
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ni Br2'
_cod_database_code               9009131
_amcsd_formula_title             NiBr2
Second edition. Interscience Publishers, New York, New York
Wyckoff R W G; Crystal Structures 1 (1963) 239–444; doi:

data_9009132
_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     NiCl2
_chemical_formula_sum            'Cl2 Ni'
_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                   3.543
_cell_length_b                   3.543
_cell_length_c                   17.335
_cell_formula_units_Z            3
_cell_volume                     188.450
_cod_depositor_comments
;
Coordinates were restored from the AMCSD database site, on 2008.03.08
Saulius Gra\<zulis
Corrected chemical formula
Luca 16/5/2013
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ni2 Cl12'
_cod_database_code               9009132
Second edition. Interscience Publishers, New York, New York
Wyckoff R W G; Crystal Structures 1 (1963) 239–444; doi:

data_9009133
_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     NiI2
_chemical_formula_sum            'I2 Ni'
_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                   3.892
_cell_length_b                   3.892
_cell_length_c                   19.634
_cell_formula_units_Z            3
_cell_volume                     257.564
_cod_depositor_comments
;
Coordinates were restored from the AMCSD database site, on 2008.03.08
Saulius Gra\<zulis
Corrected chemical formula
Luca 16/5/2013
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ni2 I12'
_cod_database_code               9009133
Second edition. Interscience Publishers, New York, New York Note: the gamma phase
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009134
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: the gamma phase
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     TaS2
_chemical_formula_sum            'S2 Ta'
_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                   3.32
_cell_length_b                   3.32
_cell_length_c                   18.29
_cell_formula_units_Z            3
_cell_volume                     174.590
_database_code_amcsd             0011813
_exptl_crystal_density_diffrn    6.993
_cod_depositor_comments
;
 Copying coordinates from AMCSD entry 0011813.

 Antanas Vaitkus,
 2018-07-18

Coordinates were not found in the AMCSD database web site on 2008.03.08
Saulius Gra\<zulis
Corrected chemical formula
Luca 16/5/2013
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ta2 S12'
_cod_database_code               9009134
_amcsd_formula_title             TaS2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009135
_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     ZnBr2
_chemical_formula_sum            'Br2 Zn'
_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_formula_units_Z            3
_cell_length_a                   3.92
_cell_length_b                   3.92
_cell_length_c                   18.73
_cell_volume                     249.253
_cod_depositor_comments
;
Coordinates were restored from the AMCSD database site, on 2008.03.08
Saulius Gra\<zulis
Corrected chemical formula
Luca 16/5/2013
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'a Zn2 Br12'
_cod_database_code               9009135
Second edition. Interscience Publishers, New York, New York
Wyckoff R W G; Crystal Structures 1 (1963) 239–444; doi:

data_9009136
_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     ZnCl2
_chemical_formula_sum            'Cl2 Zn'
_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                   3.774
_cell_length_b                   3.774
_cell_length_c                   17.765
_cell_formula_units_Z            3
_cell_volume                     219.129
_cod_depositor_comments
;
Coordinates were restored from the AMCSD database site, on 2008.03.08
Saulius Gra\<zulis
Corrected chemical formula from amcsd 0011815 entry
Luca 16/5/2013
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Zn Cl2'
_cod_database_code               9009136
Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009137
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium chloride structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     ZnI2
_chemical_formula_sum            'I2 Zn'
_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                   4.25
_cell_length_b                   4.25
_cell_length_c                   21.5
_cell_formula_units_Z            3
_cell_volume                     336.316
_database_code_amcsd             0011816
_exptl_crystal_density_diffrn    4.728
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Zn I2'
_cod_database_code               9009137
_amcsd_formula_title             ZnI2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009138
_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     CdI2
_chemical_formula_sum            'Cd I2'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.24
_cell_length_b                   4.24
_cell_length_c                   13.67
_cell_volume                     212.829
_cell_formula_units_Z            2
_database_code_amcsd             0011817
_exptl_crystal_density_diffrn    5.715
_cod_database_code               9009138
_amcsd_formula_title             CdI2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009139
_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     Cd(OH)Cl
_chemical_formula_sum            'Cd Cl H O'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.66
_cell_length_b                   3.66
_cell_length_c                   10.27
_cell_volume                     119.142
_database_code_amcsd             0011818
_exptl_crystal_density_diffrn    4.596
_cod_original_formula_sum        'Cd Cl (O H)'
_cod_database_code               9009139
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009140
_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     PbI2
_chemical_formula_sum            'I2 Pb'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.557
_cell_length_b                   4.557
_cell_length_c                   13.958
_cell_formula_units_Z            2
_cell_volume                     251.022
_database_code_amcsd             0011819
_exptl_crystal_density_diffrn    6.099
_cod_original_formula_sum        'Pb I2'
_cod_database_code               9009140
_amcsd_formula_title             PbI2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009141
_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     PbI2
_chemical_formula_sum            'I2 Pb'
_space_group_IT_number           156
_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                   4.557
_cell_length_b                   4.557
_cell_length_c                   20.937
_cell_formula_units_Z            3
_cell_volume                     376.533
_database_code_amcsd             0011820
_exptl_crystal_density_diffrn    6.099
_cod_original_formula_sum        'Pb I2'
_cod_database_code               9009141
Second edition. Interscience Publishers, New York, New York Note: cadmium chloride structure
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009142
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium chloride structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     PbI2
_chemical_formula_sum            'I2 Pb'
_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                   4.557
_cell_length_b                   4.557
_cell_length_c                   20.937
_cell_formula_units_Z            3
_cell_volume                     376.533
_database_code_amcsd             0011821
_exptl_crystal_density_diffrn    6.099
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb I2'
_cod_database_code               9009142
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 239–444; doi:

data_9009143
_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     PbI2
_chemical_formula_sum            'I2 Pb'
_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                   4.557
_cell_length_b                   4.557
_cell_length_c                   41.874
_cell_formula_units_Z            6
_cell_volume                     753.066
_database_code_amcsd             0011822
_exptl_crystal_density_diffrn    6.099
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb I2'
_cod_database_code               9009143
_amcsd_formula_title             PbI2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 280–281; doi:

data_9009144
_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_sum            'Mo S2'
_chemical_name_mineral           Molybdenite
_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                   3.1604
_cell_length_b                   3.1604
_cell_length_c                   12.295
_cell_formula_units_Z            2
_cell_volume                     106.351
_database_code_amcsd             0011823
_exptl_crystal_density_diffrn    4.999
_cod_database_code               9009144
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 280–281; doi:

data_9009145
_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_sum            'S2 W'
_chemical_name_mineral           Tungstenite
_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                   3.18
_cell_length_b                   3.18
_cell_length_c                   12.5
_cell_formula_units_Z            2
_cell_volume                     109.470
_database_code_amcsd             0011824
_exptl_crystal_density_diffrn    7.523
_cod_original_formula_sum        'W S2'
_cod_database_code               9009145
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 280–281; doi:

data_9009146
_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     WSe2
_chemical_formula_sum            'Se2 W'
_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                   3.29
_cell_length_b                   3.29
_cell_length_c                   12.97
_cell_formula_units_Z            2
_cell_volume                     121.580
_database_code_amcsd             0011825
_exptl_crystal_density_diffrn    9.336
_cod_original_formula_sum        'W Se2'
_cod_database_code               9009146
_amcsd_formula_title             WSe2
Second edition. Interscience Publishers, New York, New York
Wyckoff, R. W. G.; Crystal Structures 1 (1963) 280–281; doi:

data_9009147
_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     MoTe2
_chemical_formula_sum            'Mo Te2'
_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                   3.5182
_cell_length_b                   3.5182
_cell_length_c                   13.9736
_cell_formula_units_Z            2
_cell_volume                     149.789
_database_code_amcsd             0011826
_exptl_crystal_density_diffrn    7.785
_cod_database_code               9009147
_amcsd_formula_title             MoTe2