LMucko/crystallography-open-database huggingface dataset:
Anisotropic thermal expansion of indium Sample: .1 atomic % thallium Note: converted from kx units
Smith, J. F.; Schneider, V. L.; Journal of the Less-Common Metals 7 (1964) 17–22; doi:

data_9017524
_publ_section_title
;
 Anisotropic thermal expansion of indium
 Sample: .1 atomic % thallium
 Note: converted from kx units
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              17
_journal_page_last               22
_journal_volume                  7
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            In
_chemical_name_mineral           Indium
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_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                   3.2524
_cell_length_b                   3.2524
_cell_length_c                   4.9457
_cell_formula_units_Z            2
_cell_volume                     52.316
_database_code_amcsd             0014128
_exptl_crystal_density_diffrn    7.289
_cod_data_source_file            inputs/fixed/downloads/17/17615.cif
_cod_data_source_block           17615
_cod_database_code               9017524
Anisotropic thermal expansion of indium Sample: .2 atomic % cadmium Note: converted from kx units
Smith, J. F.; Schneider, V. L.; Journal of the Less-Common Metals 7 (1964) 17–22; doi:

data_9017525
_publ_section_title
;
 Anisotropic thermal expansion of indium
 Sample: .2 atomic % cadmium
 Note: converted from kx units
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              17
_journal_page_last               22
_journal_volume                  7
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            In
_chemical_name_mineral           Indium
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_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                   3.2532
_cell_length_b                   3.2532
_cell_length_c                   4.9428
_cell_formula_units_Z            2
_cell_volume                     52.311
_database_code_amcsd             0014129
_exptl_crystal_density_diffrn    7.290
_cod_data_source_file            inputs/fixed/downloads/17/17616.cif
_cod_data_source_block           17616
_cod_database_code               9017525
Anisotropic thermal expansion of indium Sample: .2 atomic % tin Note: converted from kx units
Smith, J. F.; Schneider, V. L.; Journal of the Less-Common Metals 7 (1964) 17–22; doi:

data_9017526
_publ_section_title
;
 Anisotropic thermal expansion of indium
 Sample: .2 atomic % tin
 Note: converted from kx units
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              17
_journal_page_last               22
_journal_volume                  7
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            In
_chemical_name_mineral           Indium
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_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                   3.2518
_cell_length_b                   3.2518
_cell_length_c                   4.9478
_cell_formula_units_Z            2
_cell_volume                     52.319
_database_code_amcsd             0014130
_exptl_crystal_density_diffrn    7.288
_cod_data_source_file            inputs/fixed/downloads/17/17617.cif
_cod_data_source_block           17617
_cod_database_code               9017526
Anisotropic thermal expansion of indium Sample: .2 atomic % lead Note: converted from kx units
Smith, J. F.; Schneider, V. L.; Journal of the Less-Common Metals 7 (1964) 17–22; doi:

data_9017527
_publ_section_title
;
 Anisotropic thermal expansion of indium
 Sample: .2 atomic % lead
 Note: converted from kx units
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              17
_journal_page_last               22
_journal_volume                  7
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            In
_chemical_name_mineral           Indium
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_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                   3.2523
_cell_length_b                   3.2523
_cell_length_c                   4.9490
_cell_formula_units_Z            2
_cell_volume                     52.348
_database_code_amcsd             0014131
_exptl_crystal_density_diffrn    7.284
_cod_data_source_file            inputs/fixed/downloads/17/17618.cif
_cod_data_source_block           17618
_cod_database_code               9017527
Kristallstruktur von Cu3Al2+ (h) und CuAl (r)
El-Boragy M; Szepan, R.; Schubert, K.; Journal of the Less-Common Metals 29 (1972) 133–140; doi:

data_9017528
_publ_section_title
;
 Kristallstruktur von Cu3Al2+ (h) und CuAl (r)
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              133
_journal_page_last               140
_journal_volume                  29
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al5 Cu5'
_chemical_name_mineral           Cupalite
_space_group_IT_number           12
_space_group_name_Hall           '-I 2y'
_space_group_name_H-M_alt        'I 1 2/m 1'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.996
_cell_angle_gamma                90
_cell_length_a                   9.889
_cell_length_b                   4.105
_cell_length_c                   6.913
_cell_formula_units_Z            2
_cell_volume                     280.629
_database_code_amcsd             0020057
_exptl_crystal_density_diffrn    5.357
_cod_data_source_file            inputs/fixed/downloads/17/17630.cif
_cod_data_source_block           17630
_cod_original_formula_sum        'Cu5 Al5'
_cod_database_code               9017528
Kristallstruktur von Cu3Al2+ (h) und CuAl (r)
El-Boragy M; Szepan, R.; Schubert, K.; Journal of the Less-Common Metals 29 (1972) 133–140; doi:

data_9017529
_publ_section_title
;
 Kristallstruktur von Cu3Al2+ (h) und CuAl (r)
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              133
_journal_page_last               140
_journal_volume                  29
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al5 Cu5'
_chemical_name_mineral           Cupalite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 55.04
_cell_angle_gamma                90
_cell_length_a                   12.066
_cell_length_b                   4.105
_cell_length_c                   6.913
_cell_formula_units_Z            2
_cell_volume                     280.621
_database_code_amcsd             0020058
_exptl_crystal_density_diffrn    5.357
_cod_data_source_file            inputs/fixed/downloads/17/17631.cif
_cod_data_source_block           17631
_cod_original_formula_sum        'Cu5 Al5'
_cod_database_code               9017529
Determination of daomanite crystal structure
Ding, K.; He, C.; Zheng, Q.; Kexue Tongbao 27 (1982) 62–66; doi:

data_9017530
_publ_section_title
;
 Determination of daomanite crystal structure
;
_journal_name_full               'Kexue Tongbao'
_journal_page_first              62
_journal_page_last               66
_journal_volume                  27
_journal_year                    1982
_chemical_compound_source
'Tao and Ma districts, Fengning County, Chengde Prefecture, Hebei Province, China'
_chemical_formula_sum            'As Cu Pt S2'
_chemical_name_mineral           Daomanite
_space_group_IT_number           9
_space_group_name_Hall           'A -2ya'
_space_group_name_H-M_alt        'A 1 a 1'
_symmetry_space_group_name_H-M   'A 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.
_cell_angle_gamma                90
_cell_length_a                   5.852
_cell_length_b                   15.876
_cell_length_c                   3.756
_cell_formula_units_Z            4
_cell_volume                     348.956
_database_code_amcsd             0019982
_exptl_crystal_density_diffrn    7.570
_cod_data_source_file            inputs/fixed/downloads/17/17731.cif
_cod_data_source_block           17731
_cod_original_formula_sum        'Pt Cu As S2'
_cod_database_code               9017530
Determination of daomanite crystal structure
Ding, K.; He, C.; Zheng, Q.; Kexue Tongbao 27 (1982) 62–66; doi:

data_9017531
_publ_section_title
;
 Determination of daomanite crystal structure
;
_journal_name_full               'Kexue Tongbao'
_journal_page_first              62
_journal_page_last               66
_journal_volume                  27
_journal_year                    1982
_chemical_compound_source
'Tao and Ma districts, Fengning County, Chengde Prefecture, Hebei Province, China'
_chemical_formula_sum            'As Cu Pt S2'
_chemical_name_mineral           Daomanite
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.
_cell_angle_gamma                90
_cell_length_a                   3.756
_cell_length_b                   15.876
_cell_length_c                   5.852
_cell_formula_units_Z            4
_cell_volume                     348.956
_database_code_amcsd             0019983
_exptl_crystal_density_diffrn    7.570
_cod_data_source_file            inputs/fixed/downloads/17/17732.cif
_cod_data_source_block           17732
_cod_original_formula_sum        'Pt Cu As S2'
_cod_database_code               9017531
The peculiarities of the atomic-structure of alinite and jasmundite
Ilinets, A. M.; Bikbau, M. Y.; Nudelman, B. I.; Bolotina, N. B.; Kristallografiya 34 (1989) 71–77; doi:

data_9017532
_publ_section_title
;
 The peculiarities of the atomic-structure of alinite and jasmundite
;
_journal_name_full               Kristallografiya
_journal_page_first              71
_journal_page_last               77
_journal_volume                  34
_journal_year                    1989
_chemical_formula_sum            'Ca10.34 Mg0.66 O18 S Si4'
_chemical_name_mineral           Jasmundite
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_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                   10.452
_cell_length_b                   10.452
_cell_length_c                   8.6977
_cell_formula_units_Z            2
_cell_volume                     950.174
_database_code_amcsd             0020211
_exptl_crystal_density_diffrn    3.016
_cod_data_source_file            inputs/fixed/downloads/17/17761.cif
_cod_data_source_block           17761
_cod_original_formula_sum        '(Ca10.34 Mg.66) Si4 O18 S'
_cod_database_code               9017532
The peculiarities of the atomic-structure of alinite and jasmundite Note: Cr-bearing material
Ilinets, A. M.; Bikbau, M. Y.; Nudelman, B. I.; Bolotina, N. B.; Kristallografiya 34 (1989) 71–77; doi:

data_9017533
_publ_section_title
;
 The peculiarities of the atomic-structure of alinite and jasmundite
 Note: Cr-bearing material
;
_journal_name_full               Kristallografiya
_journal_page_first              71
_journal_page_last               77
_journal_volume                  34
_journal_year                    1989
_chemical_formula_sum            'Al Ca9.6 Cl Mg1.4 O18 Si3'
_chemical_name_mineral           Alinite
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_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                   10.485
_cell_length_b                   10.485
_cell_length_c                   8.609
_cell_formula_units_Z            2
_cell_volume                     946.432
_database_code_amcsd             0020212
_exptl_crystal_density_diffrn    2.995
_cod_data_source_file            inputs/fixed/downloads/17/17762.cif
_cod_data_source_block           17762
_cod_original_formula_sum        'Ca9.6 Mg1.4 (Si3 Al) O18 Cl'
_cod_database_code               9017533
The peculiarities of the atomic-structure of alinite and jasmundite Note: Cu, Ni-bearing material
Ilinets, A. M.; Bikbau, M. Y.; Nudelman, B. I.; Bolotina, N. B.; Kristallografiya 34 (1989) 71–77; doi:

data_9017534
_publ_section_title
;
 The peculiarities of the atomic-structure of alinite and jasmundite
 Note: Cu, Ni-bearing material
;
_journal_name_full               Kristallografiya
_journal_page_first              71
_journal_page_last               77
_journal_volume                  34
_journal_year                    1989
_chemical_formula_sum            'Al Ca9.72 Cl Mg1.28 O18 Si3'
_chemical_name_mineral           Alinite
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_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                   10.461
_cell_length_b                   10.461
_cell_length_c                   10.583
_cell_formula_units_Z            2
_cell_volume                     1158.124
_database_code_amcsd             0020213
_exptl_crystal_density_diffrn    2.453
_cod_data_source_file            inputs/fixed/downloads/17/17763.cif
_cod_data_source_block           17763
_cod_original_cell_volume        1158.125
_cod_original_formula_sum        'Ca9.72 Mg1.28 (Si3 Al) O18 Cl'
_cod_database_code               9017534
Natural pseudowollastonite: Crystal structure, associated minerals, and geological context
Seryotkin, Y. V.; Sokol, E. V.; Kokh, S. N.; Lithos  (2012) 75–90; doi:

data_9017535
_publ_section_title
;
 Natural pseudowollastonite: Crystal structure, associated minerals, and
 geological context
;
_journal_name_full               Lithos
_journal_page_first              75
_journal_page_last               90
_journal_volume                  134-135
_journal_year                    2012
_chemical_compound_source        'Nabi Musa dome, Israel'
_chemical_formula_sum            'Ca O3 Si'
_chemical_name_mineral           Pseudowollastonite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.6805
_cell_angle_gamma                90
_cell_length_a                   6.83556
_cell_length_b                   11.86962
_cell_length_c                   19.6255
_cell_formula_units_Z            24
_cell_volume                     1592.212
_database_code_amcsd             0020448
_exptl_crystal_density_diffrn    2.908
_cod_data_source_file            inputs/fixed/downloads/17/17781.cif
_cod_data_source_block           17781
_cod_original_cell_volume        1592.213
_cod_original_formula_sum        'Ca Si O3'
_cod_database_code               9017535
Direct synthesis and single crystal structure determination of cubic pyrochlore-type tungsten trioxide hemihydrate, WO3*0.5H2O
Gunter, J. R.; Amberg, M.; Schmalle, H.; Materials Research Bulletin 24 (1989) 289–292; doi:

data_9017536
_publ_section_title
;
 Direct synthesis and single crystal structure determination of cubic
 pyrochlore-type tungsten trioxide hemihydrate, WO3*0.5H2O
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              289
_journal_page_last               292
_journal_volume                  24
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H2 O7 W2'
_chemical_name_mineral           Hydrokenoelsmoreite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.305
_cell_length_b                   10.305
_cell_length_c                   10.305
_cell_volume                     1094.319
_database_code_amcsd             0019988
_exptl_crystal_density_diffrn    5.848
_cod_data_source_file            inputs/fixed/downloads/17/17970.cif
_cod_data_source_block           17970
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'W2 O7 H2'
_cod_database_code               9017536
New arsenates (V) NaKAl2O(AsO4)2 and Na2KAl3(AsO4)4
Ben Yahia, H.; Nilges, T.; Rodewald, U. C.; Pottgen, R.; Materials Research Bulletin 45 (2010) 2017–2023; doi:

data_9017537
_publ_section_title
;
 New arsenates (V) NaKAl2O(AsO4)2 and Na2KAl3(AsO4)4
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              2017
_journal_page_last               2023
_journal_volume                  45
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al3 As4 K0.92 Na2.08 O16'
_chemical_name_mineral           Ozerovaite
_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_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.5049
_cell_length_b                   20.482
_cell_length_c                   6.3574
_cell_formula_units_Z            4
_cell_volume                     1367.867
_database_code_amcsd             0020625
_exptl_crystal_density_diffrn    3.498
_cod_data_source_file            inputs/fixed/downloads/18/18032.cif
_cod_data_source_block           18032
_cod_original_sg_symbol_H-M      'C m c a'
_cod_original_formula_sum        'K.92 Na2.08 Al3 As4 O16'
_cod_database_code               9017537
New arsenates (V) NaKAl2O(AsO4)2 and Na2KAl3(AsO4)4
Ben Yahia, H.; Nilges, T.; Rodewald, U. C.; Pottgen, R.; Materials Research Bulletin 45 (2010) 2017–2023; doi:

data_9017538
_publ_section_title
;
 New arsenates (V) NaKAl2O(AsO4)2 and Na2KAl3(AsO4)4
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              2017
_journal_page_last               2023
_journal_volume                  45
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 As2 K Na O9'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.2368
_cell_length_b                   5.5228
_cell_length_c                   17.0160
_cell_formula_units_Z            4
_cell_volume                     774.061
_database_code_amcsd             0020627
_exptl_crystal_density_diffrn    3.517
_cod_data_source_file            inputs/fixed/downloads/18/18033.cif
_cod_data_source_block           18033
_cod_original_formula_sum        'Na K Al2 As2 O9'
_cod_database_code               9017538
_amcsd_formula_title             NaKAl2O(AsO4)2
The refinement of the structure of synthetic kalsilite
Andou, Y.; Kawahara, A.; Mineralogical Journal 12 (1984) 153–161; doi:

data_9017539
_publ_section_title
;
 The refinement of the structure of synthetic kalsilite
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              153
_journal_page_last               161
_journal_volume                  12
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al K O4 Si'
_chemical_name_mineral           Kalsilite
_space_group_IT_number           173
_space_group_name_Hall           'P 6c'
_space_group_name_H-M_alt        'P 63'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.151
_cell_length_b                   5.151
_cell_length_c                   8.690
_cell_formula_units_Z            2
_cell_volume                     199.680
_database_code_amcsd             0014424
_exptl_crystal_density_diffrn    2.631
_cod_data_source_file            inputs/fixed/downloads/18/18109.cif
_cod_data_source_block           18109
_cod_original_cell_volume        199.679
_cod_original_formula_sum        'K Al Si O4'
_cod_database_code               9017539
Combined neutron powder and X-ray single-crystal diffraction refinement of the atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O) Note: Single crystal X-ray diffraction
Anderson, J. L.; Peterson, R. C.; Swaison, I. P.; Mineralogical Magazine 69 (2005) 259–271; doi:

data_9017540
_publ_section_title
;
 Combined neutron powder and X-ray single-crystal diffraction refinement of the
 atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O)
 Note: Single crystal X-ray diffraction
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              259
_journal_page_last               271
_journal_volume                  69
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H14 O11 S Zn'
_chemical_name_mineral           Goslarite
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.728
_cell_length_b                   11.973
_cell_length_c                   6.772
_cell_volume                     950.920
_database_code_amcsd             0020459
_exptl_crystal_density_diffrn    2.009
_cod_data_source_file            inputs/fixed/downloads/18/18283.cif
_cod_data_source_block           18283
_cod_original_formula_sum        'Zn S O11 H14'
_cod_database_code               9017540