LMucko/crystallography-open-database huggingface dataset:
Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 473 K
Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J.; Acta Crystallographica, Section B 64 (2008) 34–41; doi:

data_9017333
_publ_section_title
;
 Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
 Note: T = 473 K
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              34
_journal_page_last               41
_journal_volume                  64
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As3 Cl0.74 O12.13 Pb5'
_chemical_name_mineral           Mimetite
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.2415
_cell_length_b                   10.2415
_cell_length_c                   7.4594
_cell_formula_units_Z            2
_cell_volume                     677.582
_database_code_amcsd             0020326
_diffrn_ambient_temperature      473
_exptl_crystal_density_diffrn    7.259
_cod_data_source_file            inputs/fixed/downloads/11/11581.cif
_cod_data_source_block           11581
_cod_original_formula_sum        'Pb5 As3 O12.13 Cl.74'
_cod_database_code               9017333
Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy
Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R.; Acta Crystallographica, Section B 74 (2018) 182–195; doi:

data_9017334
_publ_section_title
;
 Hydrocerussite-related minerals and materials: structural principles,
 chemical variations and infrared spectroscopy
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              182
_journal_page_last               195
_journal_volume                  74
_journal_year                    2018
_chemical_compound_source        'Merehead quarry, Somerset, England'
_chemical_formula_sum            'C H O4 Pb1.5'
_chemical_name_mineral           Hydrocerussite
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_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            6
_cell_length_a                   5.2475
_cell_length_b                   5.2475
_cell_length_c                   23.6795
_cell_volume                     564.687
_database_code_amcsd             0020726
_exptl_crystal_density_diffrn    6.843
_cod_data_source_file            inputs/fixed/downloads/11/11591.cif
_cod_data_source_block           11591
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb1.5 C O4 H'
_cod_database_code               9017334
Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy
Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R.; Acta Crystallographica, Section B 74 (2018) 182–195; doi:

data_9017335
_publ_section_title
;
 Hydrocerussite-related minerals and materials: structural principles,
 chemical variations and infrared spectroscopy
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              182
_journal_page_last               195
_journal_volume                  74
_journal_year                    2018
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C H O4 Pb1.5'
_chemical_name_mineral           Hydrocerussite
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_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            6
_cell_length_a                   5.257
_cell_length_b                   5.257
_cell_length_c                   23.636
_cell_volume                     565.693
_database_code_amcsd             0020727
_exptl_crystal_density_diffrn    6.830
_cod_data_source_file            inputs/fixed/downloads/11/11592.cif
_cod_data_source_block           11592
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb1.5 C O4 H'
_cod_database_code               9017335
Aravaite, Ba2Ca18(SiO4)6(PO4)3(CO3)F3O: modular structure and disorder of a new mineral with single and triple antiperovskite layers
Kruger, B.; Kruger, H.; Galuskin, E. V.; Galuskina, I. O.; Vapnik, Y.; Olieric, V.; Pauluhn, A.; Acta Crystallographica, Section B 74 (2018) 492–501; doi:

data_9017336
_publ_section_title
;
 Aravaite, Ba2Ca18(SiO4)6(PO4)3(CO3)F3O: modular structure and disorder
 of a new mineral with single and triple antiperovskite layers
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              492
_journal_page_last               501
_journal_volume                  74
_journal_year                    2018
_chemical_compound_source        'Hatrurim Complex, Arad, Israel'
_chemical_formula_sum
'C2.3 Ba3 Ca26.433 F10.375 Na0.567 O68.375 P7.4 Si13'
_chemical_name_mineral           Aravaite
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_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            2
_cell_length_a                   7.12550
_cell_length_b                   7.12550
_cell_length_c                   66.2902
_cell_volume                     2914.813
_database_code_amcsd             0020953
_exptl_crystal_density_diffrn    3.871
_cod_data_source_file            inputs/fixed/downloads/11/11593.cif
_cod_data_source_block           11593
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum
'Ba3 Ca26.433 Na.567 Si13 P7.4 C2.3 O68.375 F10.375'
_cod_database_code               9017336
Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite
Lee, S.; Xu, H.; Acta Crystallographica, Section B 75 (2019) –; doi:10.1107/S2052520619000933

data_9017337
_publ_section_title
;
 Using powder XRD and pair distribution function to determine anisotropic
 atomic displacement parameters of orthorhombic tridymite and
 tetragonal cristobalite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_paper_doi               10.1107/S2052520619000933
_journal_volume                  75
_journal_year                    2019
_chemical_compound_source        'rhyolitic rock, New Mexico, USA'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Tridymite
_space_group_IT_number           20
_space_group_name_Hall           'C 2c 2'
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.7549
_cell_length_b                   5.0335
_cell_length_c                   8.2118
_cell_formula_units_Z            8
_cell_volume                     361.876
_database_code_amcsd             0020744
_exptl_crystal_density_diffrn    2.206
_cod_data_source_file            inputs/fixed/downloads/11/11594.cif
_cod_data_source_block           11594
_cod_original_formula_sum        'Si O2'
_cod_database_code               9017337
Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite
Lee, S.; Xu, H.; Acta Crystallographica, Section B 75 (2019) –; doi:10.1107/S2052520619000933

data_9017338
_publ_section_title
;
 Using powder XRD and pair distribution function to determine anisotropic
 atomic displacement parameters of orthorhombic tridymite and
 tetragonal cristobalite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_paper_doi               10.1107/S2052520619000933
_journal_volume                  75
_journal_year                    2019
_chemical_compound_source        'rhyolitic rock, New Mexico, USA'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_space_group_name_Hall           'P 4abw 2nw'
_space_group_name_H-M_alt        'P 41 21 2'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9727
_cell_length_b                   4.9727
_cell_length_c                   6.9257
_cell_formula_units_Z            4
_cell_volume                     171.257
_database_code_amcsd             0020745
_exptl_crystal_density_diffrn    2.330
_cod_data_source_file            inputs/fixed/downloads/11/11595.cif
_cod_data_source_block           11595
_cod_original_formula_sum        'Si O2'
_cod_database_code               9017338
Calcium sulfat subhydrat, CaSO4.0,8H2O
Abriel, W.; Acta Crystallographica, Section C 39 (1983) 956–958; doi:

data_9017339
_publ_section_title
;
 Calcium sulfat subhydrat, CaSO4.0,8H2O
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              956
_journal_page_last               958
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca H1.62 O4.81 S'
_chemical_name_mineral           Bassanite
_space_group_IT_number           152
_space_group_name_Hall           'P 31 2"'
_space_group_name_H-M_alt        'P 31 2 1'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.968
_cell_length_b                   6.968
_cell_length_c                   6.410
_cell_volume                     269.529
_database_code_amcsd             0019836
_exptl_crystal_density_diffrn    2.786
_cod_data_source_file            inputs/fixed/downloads/11/11612.cif
_cod_data_source_block           11612
_cod_original_formula_sum        'Ca S O4.81 H1.62'
_cod_database_code               9017339
Lead indium bismuth chalcogenides. III. Structure of Pb4In2Bi4S13
Kramer, V.; Acta Crystallographica, Section C 42 (1986) 1089–1091; doi:

data_9017340
_publ_section_title
;
 Lead indium bismuth chalcogenides. III. Structure of Pb4In2Bi4S13
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1089
_journal_page_last               1091
_journal_volume                  42
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi4 In2 Pb4 S13'
_chemical_name_mineral           Znamenskyite
_space_group_IT_number           55
_space_group_name_Hall           '-P 2 2ab'
_space_group_name_H-M_alt        'P b a m'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   21.344
_cell_length_b                   26.494
_cell_length_c                   4.002
_cell_formula_units_Z            4
_cell_volume                     2263.083
_database_code_amcsd             0020219
_exptl_crystal_density_diffrn    6.783
_cod_data_source_file            inputs/fixed/downloads/11/11682.cif
_cod_data_source_block           11682
_cod_original_formula_sum        'Pb4 In2 Bi4 S13'
_cod_database_code               9017340
Structure of manganese(II) trisodium tripolyphosphate dodecahydrate Locaality: synthetic
Lightfoot, P.; Cheetham, A. K.; Acta Crystallographica, Section C 43 (1987) 4–7; doi:

data_9017341
_publ_section_title
;
 Structure of manganese(II) trisodium tripolyphosphate dodecahydrate
 Locaality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              4
_journal_page_last               7
_journal_volume                  43
_journal_year                    1987
_chemical_formula_sum            'H24 Mn Na3 O22 P3'
_chemical_name_mineral           Kanonerovite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.87
_cell_angle_gamma                90
_cell_length_a                   14.763
_cell_length_b                   9.325
_cell_length_c                   15.140
_cell_formula_units_Z            4
_cell_volume                     2084.242
_database_code_amcsd             0020872
_exptl_crystal_density_diffrn    1.890
_cod_data_source_file            inputs/fixed/downloads/11/11684.cif
_cod_data_source_block           11684
_cod_original_formula_sum        'Mn P3 Na3 O22 H24'
_cod_database_code               9017341
Structures of the meridional and facial isomers of triamminechromium pyrophosphate dihydrate Sample: a) meridional monoaquatriammine(pyrophosphato)-chromiun(III) dihydrate
Haromy, T. P.; Linck, C. F.; Cleland, W. W.; Sundaralingam, M.; Acta Crystallographica, Section C 46 (1990) 951–957; doi:

data_9017342
_publ_section_title
;
 Structures of the meridional and facial isomers of triamminechromium
 pyrophosphate dihydrate
 Sample: a) meridional monoaquatriammine(pyrophosphato)-chromiun(III) dihydrate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              951
_journal_page_last               957
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'Cr H22 N3 O10 P2'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.92
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.825
_cell_length_b                   10.107
_cell_length_c                   15.322
_cell_volume                     1176.188
_database_code_amcsd             0010133
_exptl_crystal_density_diffrn    1.909
_cod_data_source_file            inputs/fixed/downloads/11/11795.cif
_cod_data_source_block           11795
_cod_original_formula_sum        'Cr P2 O10 N3 H22'
_cod_database_code               9017342
_amcsd_formula_title             Cr(HP2O7)(NH3)3(H2O).2H2O
_cod_duplicate_entry 9007773
Structures of the meridional and facial isomers of triamminechromium pyrophosphate dihydrate Sample: (b), alpha,beta,beta'-tridentate triammine(pyrophosphato) chromium(III)dihydrate dimer
Haromy, T. P.; Linck, C. F.; Cleland, W. W.; Sundaralingam, M.; Acta Crystallographica, Section C 46 (1990) 951–957; doi:

data_9017343
_publ_section_title
;
 Structures of the meridional and facial isomers of triamminechromium
 pyrophosphate dihydrate
 Sample: (b), alpha,beta,beta'-tridentate triammine(pyrophosphato)
 chromium(III)dihydrate dimer
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              951
_journal_page_last               957
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'Cr H18 N3 O9 P2'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.81
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.695
_cell_length_b                   10.327
_cell_length_c                   11.913
_cell_volume                     1059.785
_database_code_amcsd             0010134
_exptl_crystal_density_diffrn    1.994
_cod_data_source_file            inputs/fixed/downloads/11/11796.cif
_cod_data_source_block           11796
_cod_original_formula_sum        'Cr P2 O9 N3 H18'
_cod_database_code               9017343
_amcsd_formula_title             Cr(HP2O7)(NH3)3(H2O).2H2O
_cod_duplicate_entry 9007774
Crystal chemistry of cyclo-hexaphosphates. IX. structure of tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate
Averbuch-Pouchot M T; Durif, A.; Acta Crystallographica, Section C 46 (1990) 965–968; doi:

data_9017344
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. IX. structure of tetraammonium
 dimanganese cyclo-hexaphosphate oxalate hexahydrate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              965
_journal_page_last               968
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'C H6 Mn N2 O14 P3'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.92
_cell_angle_beta                 105.88
_cell_angle_gamma                100.08
_cell_formula_units_Z            2
_cell_length_a                   9.747
_cell_length_b                   9.751
_cell_length_c                   7.689
_cell_volume                     673.084
_database_code_amcsd             0010138
_exptl_crystal_density_diffrn    2.062
_cod_data_source_file            inputs/fixed/downloads/11/11800.cif
_cod_data_source_block           11800
_cod_original_formula_sum        'Mn P3 O14 N2 C H6'
_cod_database_code               9017344
_amcsd_formula_title             Mn2(NH4)4(P6O18)(C2O4).6H2O
Structure of K4OBr2
Hippler, K.; Sitta, S.; Vogt, P.; Sabrowsky, H.; Walz, L.; Acta Crystallographica, Section C 46 (1990) 1359–1360; doi:10.1107/S0108270189012369

data_9017345
_publ_section_title
;
 Structure of K4OBr2
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1359
_journal_page_last               1360
_journal_paper_doi               10.1107/S0108270189012369
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     K4OBr2
_chemical_formula_sum            'Br2 K4 O'
_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                   5.145
_cell_length_b                   5.145
_cell_length_c                   16.527
_cell_volume                     378.875
_cell_formula_units_Z            2
_database_code_amcsd             0010159
_exptl_crystal_density_diffrn    2.912
_cod_data_source_file            inputs/fixed/downloads/11/11821.cif
_cod_data_source_block           11821
_cod_original_formula_sum        'K4 O Br2'
_cod_database_code               9017345
_cod_duplicate_entry             9007797
_amcsd_formula_title             K4OBr2
Y3NiAl3Ge2, a quaternary substitution variant of the hexagonal Fe2P type
Zhao, J. T.; Parthe, E.; Acta Crystallographica, Section C 46 (1990) 2273–2276; doi:

data_9017346
_publ_section_title
;
 Y3NiAl3Ge2, a quaternary substitution variant of the
 hexagonal Fe2P type
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2273
_journal_page_last               2276
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'Al3 Ge2 Ni Y3'
_space_group_IT_number           189
_space_group_name_Hall           'P -6 -2'
_space_group_name_H-M_alt        'P -6 2 m'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.9481
_cell_length_b                   6.9481
_cell_length_c                   4.1565
_cell_formula_units_Z            1
_cell_volume                     200.660
_database_code_amcsd             0010210
_exptl_crystal_density_diffrn    4.564
_cod_data_source_file            inputs/fixed/downloads/11/11872.cif
_cod_data_source_block           11872
_cod_original_formula_sum        'Al3 Y3 Ge2 Ni'
_cod_database_code               9017346
_amcsd_formula_title             Y3NiAl3Ge2
Bis(arene)vanadium complexes. A structural study Sample: 1
Braga, D.; Sabatino, P.; Acta Crystallographica, Section C 46 (1990) 2308–2312; doi:

data_9017347
_publ_section_title
;
 Bis(arene)vanadium complexes. A structural study
 Sample: 1
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2308
_journal_page_last               2312
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'C27 V2'
_space_group_IT_number           68
_space_group_name_Hall           'C 2 2 -1ac'
_space_group_name_H-M_alt        'C c c e :1'
_symmetry_space_group_name_H-M   'C c c e :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   19.529
_cell_length_b                   29.559
_cell_length_c                   16.446
_cell_formula_units_Z            16
_cell_volume                     9493.580
_database_code_amcsd             0010222
_exptl_crystal_density_diffrn    1.193
_cod_data_source_file            inputs/fixed/downloads/11/11884.cif
_cod_data_source_block           11884
_cod_original_sg_symbol_H-M      'C c c a'
_cod_original_formula_sum        'V2 C27'
_cod_database_code               9017347
_amcsd_formula_title             V(C9H12)2
The monoclinic polymorph of catena-poly [[diaquamanganese(II)]-mu-oxalato-4O1,O2:O1',O2']
Soleimannejad, J.; Aghabozorg, H.; Hooshmand, S.; Ghadermaz, M.; Gharamaleki, J. A.; Acta Crystallographica, Section E 63 (2007) m2389–m2390; doi:

data_9017348
_publ_section_title
;
 The monoclinic polymorph of catena-poly [[diaquamanganese(II)]-mu-oxalato-4O1,O2:O1',O2']
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              m2389
_journal_page_last               m2390
_journal_volume                  63
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H4 Mn O6'
_chemical_name_mineral           Lindbergite
_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                 125.843
_cell_angle_gamma                90
_cell_length_a                   11.7648
_cell_length_b                   5.6440
_cell_length_c                   9.6367
_cell_formula_units_Z            4
_cell_volume                     518.704
_database_code_amcsd             0019963
_exptl_crystal_density_diffrn    2.292
_cod_data_source_file            inputs/fixed/downloads/12/12176.cif
_cod_data_source_block           12176
_cod_original_formula_sum        'Mn C2 O6 H4'
_cod_database_code               9017348