LMucko/crystallography-open-database huggingface dataset:
Crystal structure of Sb2MoO6 Note: neutron diffraction refinement Note: y-coordinate for O9 changed to match magnitude in the X-ray refinement as well as the reported bond lengths Note: synthetic polymorph of biehlite
Laarif, A.; Theobald, F. R.; Vivier, H.; Hewat, A. W.; Zeitschrift fur Kristallographie 167 (1984) 117–124; doi:

data_9008315
_publ_section_title
;
 Crystal structure of Sb2MoO6
 Note: neutron diffraction refinement
 Note: y-coordinate for O9 changed to match magnitude in the X-ray refinement
 as well as the reported bond lengths
 Note: synthetic polymorph of biehlite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              117
_journal_page_last               124
_journal_volume                  167
_journal_year                    1984
_chemical_formula_structural     Sb2MoO6
_chemical_formula_sum            'Mo O6 Sb2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                70.374
_cell_angle_beta                 70.889
_cell_angle_gamma                83.246
_cell_length_a                   7.4774
_cell_length_b                   7.5017
_cell_length_c                   10.1259
_cell_formula_units_Z            4
_cell_volume                     505.492
_database_code_amcsd             0010868
_exptl_crystal_density_diffrn    5.722
_cod_original_formula_sum        'Sb2 Mo O6'
_cod_database_code               9008315
_amcsd_formula_title             Sb2MoO6
Crystal structure of Sb2MoO6 Note: X-ray single crystal refinement Note: synthetic polymorph of biehlite
Laarif, A.; Theobald, F. R.; Vivier, H.; Hewat, A. W.; Zeitschrift fur Kristallographie 167 (1984) 117–124; doi:

data_9008316
_publ_section_title
;
 Crystal structure of Sb2MoO6
 Note: X-ray single crystal refinement
 Note: synthetic polymorph of biehlite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              117
_journal_page_last               124
_journal_volume                  167
_journal_year                    1984
_chemical_formula_structural     Sb2MoO6
_chemical_formula_sum            'Mo O6 Sb2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                70.43
_cell_angle_beta                 70.91
_cell_angle_gamma                83.35
_cell_length_a                   7.481
_cell_length_b                   7.504
_cell_length_c                   10.120
_cell_formula_units_Z            4
_cell_volume                     505.842
_database_code_amcsd             0010869
_exptl_crystal_density_diffrn    5.718
_cod_original_formula_sum        'Sb2 Mo O6'
_cod_database_code               9008316
_amcsd_formula_title             Sb2MoO6
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008317
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_sum            'Cu2 Sb'
_chemical_name_mineral           Cuprostibite
_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                   4.0006
_cell_length_b                   4.0006
_cell_length_c                   6.1043
_cell_formula_units_Z            2
_cell_volume                     97.698
_database_code_amcsd             0010875
_exptl_crystal_density_diffrn    8.459
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9008317
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008318
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     MnAlGe
_chemical_formula_sum            'Al Ge Mn'
_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                   3.914
_cell_length_b                   3.914
_cell_length_c                   5.933
_cell_formula_units_Z            2
_cell_volume                     90.890
_database_code_amcsd             0010876
_exptl_crystal_density_diffrn    5.646
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Mn Al Ge'
_cod_database_code               9008318
_amcsd_formula_title             MnAlGe
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008319
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     CuMgAs
_chemical_formula_sum            'As Cu Mg'
_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                   3.961
_cell_length_b                   3.961
_cell_length_c                   6.238
_cell_formula_units_Z            2
_cell_volume                     97.871
_database_code_amcsd             0010877
_exptl_crystal_density_diffrn    5.523
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Cu As Mg'
_cod_database_code               9008319
_amcsd_formula_title             CuMgAs
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008320
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     Mn2Sb
_chemical_formula_sum            'Mn2 Sb'
_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                   4.078
_cell_length_b                   4.078
_cell_length_c                   6.557
_cell_formula_units_Z            2
_cell_volume                     109.043
_database_code_amcsd             0010878
_exptl_crystal_density_diffrn    7.055
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9008320
_amcsd_formula_title             Mn2Sb
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008321
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     MgNaAs
_chemical_formula_sum            'As Mg Na'
_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                   4.422
_cell_length_b                   4.422
_cell_length_c                   7.138
_cell_formula_units_Z            2
_cell_volume                     139.577
_database_code_amcsd             0010879
_exptl_crystal_density_diffrn    2.908
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Mg Na As'
_cod_database_code               9008321
_amcsd_formula_title             MgNaAs
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008322
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     FeLiP
_chemical_formula_sum            'Fe Li P'
_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                   3.691
_cell_length_b                   3.691
_cell_length_c                   6.023
_cell_formula_units_Z            2
_cell_volume                     82.054
_database_code_amcsd             0010880
_exptl_crystal_density_diffrn    3.795
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9008322
_amcsd_formula_title             FeLiP
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008323
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     MgNaSb
_chemical_formula_sum            'Mg Na Sb'
_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                   4.653
_cell_length_b                   4.653
_cell_length_c                   7.64
_cell_formula_units_Z            2
_cell_volume                     165.409
_database_code_amcsd             0010881
_exptl_crystal_density_diffrn    3.394
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9008323
_amcsd_formula_title             MgNaSb
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008324
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     Mn2As
_chemical_formula_sum            'As Mn2'
_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                   3.769
_cell_length_b                   3.769
_cell_length_c                   6.278
_cell_formula_units_Z            2
_cell_volume                     89.181
_database_code_amcsd             0010882
_exptl_crystal_density_diffrn    6.882
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Mn2 As'
_cod_database_code               9008324
_amcsd_formula_title             Mn2As
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008325
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     BeLiP
_chemical_formula_sum            'Be Li P'
_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                   3.617
_cell_length_b                   3.617
_cell_length_c                   6.032
_cell_formula_units_Z            2
_cell_volume                     78.915
_database_code_amcsd             0010883
_exptl_crystal_density_diffrn    1.975
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9008325
_amcsd_formula_title             BeLiP
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008326
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     FeLiAs
_chemical_formula_sum            'As Fe Li'
_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                   3.776
_cell_length_b                   3.776
_cell_length_c                   6.349
_cell_formula_units_Z            2
_cell_volume                     90.525
_database_code_amcsd             0010884
_exptl_crystal_density_diffrn    5.052
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Fe Li As'
_cod_database_code               9008326
_amcsd_formula_title             FeLiAs
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008327
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     MgKSb
_chemical_formula_sum            'K Mg Sb'
_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                   4.812
_cell_length_b                   4.812
_cell_length_c                   8.202
_cell_formula_units_Z            2
_cell_volume                     189.920
_database_code_amcsd             0010885
_exptl_crystal_density_diffrn    3.238
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Mg K Sb'
_cod_database_code               9008327
_amcsd_formula_title             MgKSb
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008328
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     MgBaGe
_chemical_formula_sum            'Ba Ge Mg'
_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                   4.64
_cell_length_b                   4.64
_cell_length_c                   7.92
_cell_formula_units_Z            2
_cell_volume                     170.514
_database_code_amcsd             0010886
_exptl_crystal_density_diffrn    4.562
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Mg Ba Ge'
_cod_database_code               9008328
_amcsd_formula_title             MgBaGe
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008329
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     MgBaSi
_chemical_formula_sum            'Ba Mg Si'
_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                   4.61
_cell_length_b                   4.61
_cell_length_c                   7.87
_cell_formula_units_Z            2
_cell_volume                     167.254
_database_code_amcsd             0010887
_exptl_crystal_density_diffrn    3.767
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Mg Ba Si'
_cod_database_code               9008329
_amcsd_formula_title             MgBaSi
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008330
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     Cr2As
_chemical_formula_sum            'As Cr2'
_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                   3.5923
_cell_length_b                   3.5923
_cell_length_c                   6.3437
_cell_formula_units_Z            2
_cell_volume                     81.863
_database_code_amcsd             0010888
_exptl_crystal_density_diffrn    7.258
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Cr2 As'
_cod_database_code               9008330
_amcsd_formula_title             Cr2As
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008331
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     MnKP
_chemical_formula_sum            'K Mn P'
_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                   4.275
_cell_length_b                   4.275
_cell_length_c                   7.668
_cell_formula_units_Z            2
_cell_volume                     140.137
_database_code_amcsd             0010889
_exptl_crystal_density_diffrn    2.963
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Mn K P'
_cod_database_code               9008331
_amcsd_formula_title             MnKP
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008332
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     VZrSi
_chemical_formula_sum            'Si V Zr'
_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                   3.695
_cell_length_b                   3.695
_cell_length_c                   7.212
_cell_formula_units_Z            2
_cell_volume                     98.466
_database_code_amcsd             0010890
_exptl_crystal_density_diffrn    5.742
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'V Zr Si'
_cod_database_code               9008332
_amcsd_formula_title             VZrSi
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008333
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     UNTe
_chemical_formula_sum            'N Te U'
_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                   3.929
_cell_length_b                   3.929
_cell_length_c                   7.617
_cell_formula_units_Z            2
_cell_volume                     117.584
_database_code_amcsd             0010891
_exptl_crystal_density_diffrn    10.723
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9008333
_amcsd_formula_title             UNTe
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008334
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     UBi2
_chemical_formula_sum            'Bi2 U'
_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                   4.445
_cell_length_b                   4.445
_cell_length_c                   8.908
_cell_formula_units_Z            2
_cell_volume                     176.004
_database_code_amcsd             0010892
_exptl_crystal_density_diffrn    12.378
_cod_original_cell_volume        176.005
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9008334
_amcsd_formula_title             UBi2