LMucko/crystallography-open-database huggingface dataset:
Structure of superconductors. X. Thermal, microscopic and x-ray investigation of the bismuth-palladium system Locality: synthetic Note: low temperature modification Note: unable to reproduce reported bond lengths
Zhuravlev, N. N.; Soviet Journal of Experimental and Theoretical Physics 5 (1957) 1064–1072; doi:

data_9012855
_publ_section_title
;Structure of superconductors. X. Thermal, microscopic and x-ray investigation
 of the bismuth-palladium system Locality: synthetic Note: low temperature
 modification Note: unable to reproduce reported bond lengths
;
_journal_name_full
'Soviet Journal of Experimental and Theoretical Physics'
_journal_page_first              1064
_journal_page_last               1072
_journal_volume                  5
_journal_year                    1957
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 Pd'
_chemical_name_mineral           Froodite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.58
_cell_angle_gamma                90
_cell_length_a                   12.74
_cell_length_b                   4.25
_cell_length_c                   5.665
_cell_formula_units_Z            4
_cell_volume                     299.368
_database_code_amcsd             0015531
_exptl_crystal_density_diffrn    11.635
_cod_database_code               9012855
Structure of superconductors. X. Thermal, microscopic and x-ray investigation of the bismuth-palladium system Locality: synthetic
Zhuravlev, N. N.; Soviet Journal of Experimental and Theoretical Physics 5 (1957) 1064–1072; doi:

data_9012856
_publ_section_title
;Structure of superconductors. X. Thermal, microscopic and x-ray investigation
 of the bismuth-palladium system Locality: synthetic
;
_journal_name_full
'Soviet Journal of Experimental and Theoretical Physics'
_journal_page_first              1064
_journal_page_last               1072
_journal_volume                  5
_journal_year                    1957
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi Pd'
_chemical_name_mineral           Polarite
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.707
_cell_length_b                   7.203
_cell_length_c                   10.662
_cell_formula_units_Z            16
_cell_volume                     668.684
_database_code_amcsd             0015532
_exptl_crystal_density_diffrn    12.532
_cod_original_cell_volume        668.683
_cod_original_formula_sum        'Pd Bi'
_cod_database_code               9012856
Structure of superconductors. X. Thermal, microscopic and x-ray investigation of the bismuth-palladium system Locality: synthetic Note: high temperature modification
Zhuravlev, N. N.; Soviet Journal of Experimental and Theoretical Physics 5 (1957) 1064–1072; doi:

data_9012857
_publ_section_title
;Structure of superconductors. X. Thermal, microscopic and x-ray investigation
 of the bismuth-palladium system Locality: synthetic Note: high temperature
 modification
;
_journal_name_full
'Soviet Journal of Experimental and Theoretical Physics'
_journal_page_first              1064
_journal_page_last               1072
_journal_volume                  5
_journal_year                    1957
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 Pd'
_chemical_name_mineral           Urvantsevite
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_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                   3.362
_cell_length_b                   3.362
_cell_length_c                   12.983
_cell_formula_units_Z            2
_cell_volume                     146.747
_database_code_amcsd             0015533
_exptl_crystal_density_diffrn    11.867
_cod_original_formula_sum        'Pd Bi2'
_cod_database_code               9012857
The polymorphism of bismuth telluride under high pressures and temperatures
Atabaeva, E. Y.; Ickevich, E. S.; Mashkov, S. A.; Popova, S. V.; Vereshchagin, L. F.; Fizika Tverdogo Tela 10 (1968) 62–65; doi:

data_9012858
_publ_section_title
;
 The polymorphism of bismuth telluride under high pressures and temperatures
;
_journal_name_full               'Fizika Tverdogo Tela'
_journal_page_first              62
_journal_page_last               65
_journal_volume                  10
_journal_year                    1968
_chemical_formula_sum            'Bi2 Te3'
_chemical_name_mineral           Tellurobismuthite
_space_group_IT_number           160
_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                   4.417
_cell_length_b                   4.417
_cell_length_c                   29.84
_cell_formula_units_Z            3
_cell_volume                     504.178
_database_code_amcsd             0012645
_exptl_crystal_density_diffrn    7.912
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               9012858
Ag2(UO2)2V2O8: a new compound with the carnotite structure. Synthesis, structure and properties
Abraham, F.; Dion, C.; Tancret, N.; Saadi, M.; Advanced Materials Research 1 (1994) 511–520; doi:

data_9012859
_publ_section_title
;
 Ag2(UO2)2V2O8: a new compound with the carnotite structure.  Synthesis,
 structure and properties
;
_journal_name_full               'Advanced Materials Research'
_journal_page_first              511
_journal_page_last               520
_journal_volume                  1
_journal_year                    1994
_chemical_formula_structural     Ag2(UO2)2V2O8
_chemical_formula_sum            'Ag O6 U V'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.56
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8952
_cell_length_b                   8.3541
_cell_length_c                   10.4142
_cell_volume                     504.203
_exptl_crystal_density_diffrn    6.492
_cod_duplicate_entry             1004114
_cod_original_formula_sum        'Ag U V O6'
_cod_database_code               9012859
Crystal structure of naujakasite - Na6{Fe[(Si,Al)8Si4O26]}
Khalilov, A. D.; Dzhafarov, N. K.; Mamedov, K. S.; Doklady Akademii Nauk Azerbaidzhanskoi SSR 33 (1977) 35–40; doi:

data_9012860
_publ_section_title
;
 Crystal structure of naujakasite - Na6{Fe[(Si,Al)8Si4O26]}
;
_journal_name_full               'Doklady Akademii Nauk Azerbaidzhanskoi SSR'
_journal_page_first              35
_journal_page_last               40
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Al4 Fe Na6 O26 Si8'
_chemical_name_mineral           Naujakasite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.44
_cell_angle_gamma                90
_cell_length_a                   15.086
_cell_length_b                   7.993
_cell_length_c                   10.515
_cell_formula_units_Z            2
_cell_volume                     1163.291
_database_code_amcsd             0012434
_exptl_crystal_density_diffrn    2.690
_cod_original_formula_sum        'Na6 Fe Al4 Si8 O26'
_cod_database_code               9012860
The crystal structure of naujakasite, a double sheet silicate
Basso, R.; dal Negro, A.; Giusta, A. D.; Ungaretti, L.; Gronlands Geologiske Undersogelse: Bulletin 116 (1975) 11–24; doi:

data_9012861
_publ_section_title
;
 The crystal structure of naujakasite, a double sheet silicate
;
_journal_name_full               'Gronlands Geologiske Undersogelse: Bulletin'
_journal_page_first              11
_journal_page_last               24
_journal_volume                  116
_journal_year                    1975
_chemical_compound_source
'Tuperssuatsiait Bay, Illimaussaq complex, Narsaq, Greenland'
_chemical_formula_sum            'Al4 Fe Na6 O26 Si8'
_chemical_name_mineral           Naujakasite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.67
_cell_angle_gamma                90
_cell_length_a                   15.025
_cell_length_b                   7.991
_cell_length_c                   10.468
_cell_formula_units_Z            2
_cell_volume                     1151.104
_database_code_amcsd             0012670
_exptl_crystal_density_diffrn    2.719
_cod_original_formula_sum        'Na6 Fe Al4 Si8 O26'
_cod_database_code               9012861
A note on the crystal structure of schulenbergite
Mumme, W. G.; Sarp, H.; Chiappero, P. J.; Archivs des Sciences, Geneve 47 (1994) 117–124; doi:

data_9012862
_publ_section_title
;
 A note on the crystal structure of schulenbergite
;
_journal_name_full               'Archivs des Sciences, Geneve'
_journal_page_first              117
_journal_page_last               124
_journal_volume                  47
_journal_year                    1994
_chemical_compound_source        'Cap Garonne Mine, Var, France'
_chemical_formula_sum            'Cu5.999 H36.01 O21 S2 Zn1.001'
_chemical_name_mineral           Schulenbergite
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   8.211
_cell_length_b                   8.211
_cell_length_c                   7.106
_cell_volume                     414.904
_database_code_amcsd             0012035
_exptl_crystal_density_diffrn    3.534
_cod_original_formula_sum        '(Cu5.999 Zn1.001) S2 O21 H36.01'
_cod_database_code               9012862
Theoparacelsite, Cu3(OH)2As2O7, a new mineral: its description and crystal structure Locality: near Nice, France
Sarp, H.; Cerny, R.; Archives des Sciences, Geneve 54 (2001) 7–14; doi:

data_9012863
_publ_section_title
;
 Theoparacelsite, Cu3(OH)2As2O7, a new mineral:
 its description and crystal structure
 Locality: near Nice, France
;
_journal_name_full               'Archives des Sciences, Geneve'
_journal_page_first              7
_journal_page_last               14
_journal_volume                  54
_journal_year                    2001
_chemical_formula_sum            'As0.667 Cu H2.77 O3'
_chemical_name_mineral           Theoparacelsite
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.3212
_cell_length_b                   2.9377
_cell_length_c                   4.6644
_cell_volume                     114.022
_cod_data_source_file            12974.cif
_cod_data_source_block           global
_cod_original_formula_sum        'Cu As.667 O3 H2.77'
_cod_database_code               9012863
_cod_duplicate_entry 9009986
Radovanite, Cu2Fe3+(As5+O4)(As3+O2OH)2H2O, a new mineral: its description and crystal structure
Sarp, H.; Guenee, L.; Archives des Sciences, Geneve 55 (2002) 47–55; doi:

data_9012864
_publ_section_title
;
 Radovanite, Cu2Fe3+(As5+O4)(As3+O2OH)2H2O, a new mineral: its description
 and crystal structure
;
_journal_name_full               'Archives des Sciences, Geneve'
_journal_page_first              47
_journal_page_last               55
_journal_volume                  55
_journal_year                    2002
_chemical_compound_source
'Roua, northwestern part of Alpes-Maritimes, France'
_chemical_formula_sum            'As3 Cu2 Fe H4 O11'
_chemical_name_mineral           Radovanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.585
_cell_length_b                   13.143
_cell_length_c                   8.0884
_cell_volume                     1018.941
_database_code_amcsd             0012037
_exptl_crystal_density_diffrn    3.821
_cod_original_formula_sum        'Cu2 Fe As3 O11 H4'
_cod_database_code               9012864
Zur struktur und zusammensetzung von cafarsit, cafarsit ein As(III)-oxid, kein arsenat Locality: synthetic Note: Water positions were not determined
Edenharter, A.; Nowacki, W.; Weibel, M.; Schweizerische Mineralogische und Petrographische Mitteilungen 57 (1977) 1–16; doi:

data_9012865
_publ_section_title
;
 Zur struktur und zusammensetzung von cafarsit, cafarsit ein As(III)-oxid,
 kein arsenat
 Locality: synthetic
 Note: Water positions were not determined
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              1
_journal_page_last               16
_journal_volume                  57
_journal_year                    1977
_chemical_formula_sum            'As22.36 Ca11.84 Fe5.94 Mn3.4 O81.36 Ti6'
_chemical_name_mineral           Cafarsite
_space_group_IT_number           201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.984
_cell_length_b                   15.984
_cell_length_c                   15.984
_cell_volume                     4083.724
_exptl_crystal_density_diffrn    3.462
_cod_duplicate_entry             1529830
_cod_original_cell_volume        4083.725
_cod_original_sg_symbol_H-M      'P n 3'
_cod_original_formula_sum        'As22.36 Ca11.84 Ti6 Fe5.94 Mn3.4 O81.36'
_cod_database_code               9012865
Erniggliite (Tl2SnAs2S6), a new mineral from Lengenbach, Binntal (Switzerland): description and crystal structure determination based on data from synchrotron radiation Locality: Lengenbach, Binntal, Switzerland
Graeser, S.; Schwander, H.; Wulf, R.; Edenharter, A.; Schweizerische Mineralogische und Petrographische Mitteilungen 72 (1992) 293–305; doi:

data_9012866
_publ_section_title
;Erniggliite (Tl2SnAs2S6), a new mineral from Lengenbach, Binntal
 (Switzerland): description and crystal structure determination based on data
 from synchrotron radiation Locality: Lengenbach, Binntal, Switzerland
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              293
_journal_page_last               305
_journal_volume                  72
_journal_year                    1992
_chemical_compound_source        'Lengenbach, Binntal, Switzerland'
_chemical_formula_sum            'As2 S6 Sn Tl2'
_chemical_name_mineral           Erniggliite
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.680
_cell_length_b                   6.680
_cell_length_c                   7.164
_cell_formula_units_Z            1
_cell_volume                     276.847
_database_code_amcsd             0015406
_exptl_crystal_density_diffrn    5.217
_cod_original_formula_sum        'Sn Tl2 As2 S6'
_cod_database_code               9012866
Bearthite, Ca2Al[PO4]2(OH), a new mineral from high-pressure terranes of the western Alps
Chopin, C.; Brunet, F.; Gebert, W.; Medenbach, O.; Tillmanns, E.; Schweizerische Mineralogische und Petrographische Mitteilungen 73 (1993) 1–9; doi:

data_9012867
_publ_section_title
;
 Bearthite, Ca2Al[PO4]2(OH), a new mineral from high-pressure terranes of the
 western Alps
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              1
_journal_page_last               9
_journal_volume                  73
_journal_year                    1993
_chemical_compound_source        'Dora Maira massif, western Alps, Italy'
_chemical_formula_sum            'Al Ca2 H O9 P2'
_chemical_name_mineral           Bearthite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.57
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.231
_cell_length_b                   5.734
_cell_length_c                   8.263
_cell_volume                     316.365
_database_code_amcsd             0015407
_exptl_crystal_density_diffrn    3.297
_cod_original_formula_sum        'Ca2 Al P2 O9 H'
_cod_database_code               9012867
Crystal structure of a (001) twinned sussexite Mn2B2O4(OH)2 from the Kalahari Manganese Field South Africa Locality: Nchwaning II Mine, Kalahari Manganese Field, South Africa
Hoffmann, C.; Armbruster, T.; Schweizerische Mineralogische und Petrographische Mitteilungen 75 (1995) 123–133; doi:

data_9012868
_publ_section_title
;Crystal structure of a (001) twinned sussexite Mn2B2O4(OH)2 from the Kalahari
 Manganese Field South Africa Locality: Nchwaning II Mine, Kalahari Manganese
 Field, South Africa
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              123
_journal_page_last               133
_journal_volume                  75
_journal_year                    1995
_chemical_compound_source
'Nchwaning II Mine, Kalahari Manganese Field, South Africa'
_chemical_formula_sum            'B H Mg0.094 Mn0.906 O3'
_chemical_name_mineral           Sussexite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.75
_cell_angle_gamma                90
_cell_length_a                   3.287
_cell_length_b                   10.718
_cell_length_c                   12.866
_cell_formula_units_Z            8
_cell_volume                     451.713
_database_code_amcsd             0015408
_exptl_crystal_density_diffrn    3.290
_cod_original_formula_sum        '(Mn.906 Mg.094) B O3 H'
_cod_database_code               9012868
Stalderite TlCu(Zn,Fe,Hg)2As2S6 - a new mineral related to routhierite: description and crystal structure determination
Graeser, S.; Schwander, H.; Wulf, R.; Edenharter, A.; Schweizerische Mineralogische und Petrographische Mitteilungen 75 (1995) 337–345; doi:

data_9012869
_publ_section_title
;
 Stalderite TlCu(Zn,Fe,Hg)2As2S6 - a new mineral related to routhierite:
 description and crystal structure determination
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              337
_journal_page_last               345
_journal_volume                  75
_journal_year                    1995
_chemical_compound_source
'Lengenbach, Binntal, Ct. Valais, Switzerland'
_chemical_formula_sum            'As2 Cu Fe0.46 Hg0.38 S6 Tl Zn1.16'
_chemical_name_mineral           Stalderite
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.865
_cell_length_b                   9.865
_cell_length_c                   10.938
_cell_formula_units_Z            4
_cell_volume                     1064.467
_database_code_amcsd             0015409
_exptl_crystal_density_diffrn    4.917
_cod_original_formula_sum        'Tl Cu (Zn1.16 Fe.46 Hg.38) As2 S6'
_cod_database_code               9012869
Crystal structure and crystal chemistry of the homeotypes edenharterite (TlPbAs3S6) and jentschite (TlPbAs2SbS6) from Lengenbach, Binntal (Switzerland) Locality: Lengenbach quarry, Binntal, Valais, Switzerland
Berlepsch, P.; Schweizerische Mineralogische und Petrographische Mitteilungen 76 (1996) 147–157; doi:

data_9012870
_publ_section_title
;Crystal structure and crystal chemistry of the homeotypes edenharterite
 (TlPbAs3S6) and jentschite (TlPbAs2SbS6) from Lengenbach, Binntal
 (Switzerland) Locality: Lengenbach quarry, Binntal, Valais, Switzerland
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              147
_journal_page_last               157
_journal_volume                  76
_journal_year                    1996
_chemical_compound_source
'Lengenbach quarry, Binntal, Valais, Switzerland'
_chemical_formula_sum            'As2.93 Pb S6 Sb0.07 Tl'
_chemical_name_mineral           Edenharterite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.4764
_cell_length_b                   47.602
_cell_length_c                   5.8489
_cell_formula_units_Z            16
_cell_volume                     4308.929
_database_code_amcsd             0015410
_exptl_crystal_density_diffrn    5.130
_cod_original_formula_sum        'Tl Pb As2.93 Sb.07 S6'
_cod_database_code               9012870
Crystal structure and crystal chemistry of the homeotypes edenharterite (TlPbAs3S6) and jentschite (TlPbAs2SbS6) from Lengenbach, Binntal (Switzerland) Locality: Lengenbach quarry, Binntal, Valais, Switzerland
Berlepsch, P.; Schweizerische Mineralogische und Petrographische Mitteilungen 76 (1996) 147–157; doi:

data_9012871
_publ_section_title
;Crystal structure and crystal chemistry of the homeotypes edenharterite
 (TlPbAs3S6) and jentschite (TlPbAs2SbS6) from Lengenbach, Binntal
 (Switzerland) Locality: Lengenbach quarry, Binntal, Valais, Switzerland
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              147
_journal_page_last               157
_journal_volume                  76
_journal_year                    1996
_chemical_compound_source
'Lengenbach quarry, Binntal, Valais, Switzerland'
_chemical_formula_sum            'As2.45 Pb S6 Sb0.55 Tl'
_chemical_name_mineral           Jentschite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.063
_cell_angle_gamma                90
_cell_length_a                   8.0958
_cell_length_b                   23.917
_cell_length_c                   5.8876
_cell_formula_units_Z            4
_cell_volume                     1083.816
_database_code_amcsd             0015411
_exptl_crystal_density_diffrn    5.237
_cod_original_formula_sum        'Tl Pb Sb.55 As2.45 S6'
_cod_database_code               9012871