LMucko/crystallography-open-database huggingface dataset:
Etude crystallographique de sulfures de terres rares et de sodium _cod_database_code 1008970
Ballestracci, R.; Bertaut, E.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 87 (1964) 512–517; doi:

data_9016485
_publ_section_title
;
 Etude crystallographique de sulfures de terres rares et de sodium
 _cod_database_code 1008970
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              512
_journal_page_last               517
_journal_volume                  87
_journal_year                    1964
_chemical_formula_sum            'Na0.5 Pr0.5 S'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.777
_cell_length_b                   5.777
_cell_length_c                   5.777
_cell_formula_units_Z            4
_cell_volume                     192.800
_database_code_amcsd             0016833
_exptl_crystal_density_diffrn    3.928
_cod_duplicate_entry             1008970
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Na.5 Pr.5) S'
_cod_database_code               9016485
_amcsd_formula_title             'Na Pr S2'
Synthesis and crystal structure of two fluorophosphated compounds with different infinite sheets: Sr2Ga(HPO4)(PO4)F2 and Sr2Fe2(HPO4)(PO4)2F2 _cod_database_code 1000487
Le Meins, J.; Hemon-Ribaud A; Courbion, G.; European Journal of Solid State and Inorganic Chemistry 35 (1998) 117–132; doi:

data_9016486
_publ_section_title
;
 Synthesis and crystal structure of two fluorophosphated compounds with
 different infinite sheets: Sr2Ga(HPO4)(PO4)F2 and Sr2Fe2(HPO4)(PO4)2F2
 _cod_database_code 1000487
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              117
_journal_page_last               132
_journal_volume                  35
_journal_year                    1998
_chemical_formula_sum            'F2 Fe2 O12 P3 Sr2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.46
_cell_angle_beta                 115.95
_cell_angle_gamma                89.95
_cell_length_a                   8.072
_cell_length_b                   8.794
_cell_length_c                   8.885
_cell_formula_units_Z            2
_cell_volume                     550.604
_database_code_amcsd             0012620
_exptl_crystal_density_diffrn    3.678
_cod_duplicate_entry             1000487
_cod_original_formula_sum        'Sr2 Fe2 P3 O12 F2'
_cod_database_code               9016486
_amcsd_formula_title             Sr2Fe2(HPO4)(PO4)2F2
Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: T = 150 C
Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L.; American Mineralogist 97 (2012) 1866–1873; doi:10.2138/am.2012.4197

data_9016487
_publ_section_title
;
 Hydrogen-bond system and dehydration behavior of the natural zeolite partheite
 Note: T = 150 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1866
_journal_page_last               1873
_journal_paper_doi               10.2138/am.2012.4197
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Denezhkin Kamen, Urals Region, Russia'
_chemical_formula_sum            'Al4 Ca2 H4.92 O19 Si4'
_chemical_name_mineral           Partheite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.067
_cell_angle_gamma                90
_cell_length_a                   21.524
_cell_length_b                   8.667
_cell_length_c                   9.292
_cell_formula_units_Z            4
_cell_volume                     1733.108
_database_code_amcsd             0019714
_exptl_crystal_density_diffrn    2.335
_cod_original_formula_sum        'Ca2 Al4 Si4 O19 H4.92'
_cod_database_code               9016487
Crystal Structure of the Low Temperature Modification of Ammonium Bromide _cod_database_code 1010540
Ketelaar, J.; Nature 134 (1934) 250–251; doi:

data_9016488
_publ_section_title
;
 Crystal Structure of the Low Temperature Modification of Ammonium Bromide
 _cod_database_code 1010540
;
_journal_name_full               Nature
_journal_page_first              250
_journal_page_last               251
_journal_volume                  134
_journal_year                    1934
_chemical_formula_sum            'Br N'
_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                   6.007
_cell_length_b                   6.007
_cell_length_c                   4.035
_cell_formula_units_Z            2
_cell_volume                     145.599
_database_code_amcsd             0017445
_exptl_crystal_density_diffrn    2.142
_cod_duplicate_entry             1010540
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9016488
_amcsd_formula_title             'Br H4 N'
Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K determined by time-of-flight neutron powder diffraction Note: T = 500 K
Wood, I. G.; Vocadlo, L.; Knight, K. S.; Dobson, D. P.; Marshall, W. G.; Price, G. D.; Brodholt, J.; Journal of Applied Crystallography 37 (2004) 82–90; doi:10.1107/S0021889803024695

data_9016489
_publ_section_title
;
 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
 determined by time-of-flight neutron powder diffraction
 Note: T = 500 K
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              82
_journal_page_last               90
_journal_paper_doi               10.1107/S0021889803024695
_journal_volume                  37
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_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                   5.077
_cell_length_b                   6.767
_cell_length_c                   4.520
_cell_measurement_temperature    500
_cell_volume                     155.289
_database_code_amcsd             0019123
_diffrn_ambient_temperature      500
_exptl_crystal_density_diffrn    7.680
_cod_duplicate_entry             2300086
_cod_depositor_comments
;
 Adding the _cell_measurement_temperature and _diffrn_ambient_temperature
 data items after consulting the original publication.

 Antanas Vaitkus,
 2017-08-17

 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-17
;
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9016489
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3 _cod_database_code 1010587
Zachariasen, W.; Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1 (1928) 1–165; doi:

data_9016490
_publ_section_title
;
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
 Verbindungen ABO3
 _cod_database_code 1010587
;
_journal_name_full
'Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo'
_journal_page_first              1
_journal_page_last               165
_journal_volume                  1
_journal_year                    1928
_chemical_formula_sum            'O3 Y2'
_chemical_name_mineral           Yttriaite-(Y)
_space_group_IT_number           199
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.60
_cell_length_b                   10.60
_cell_length_c                   10.60
_cell_formula_units_Z            16
_cell_volume                     1191.016
_database_code_amcsd             0017468
_exptl_crystal_density_diffrn    5.037
_cod_duplicate_entry             9015993
_cod_original_formula_sum        'Y2 O3'
_cod_database_code               9016490
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P5, P = 14.4 GPa
Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.; Physical Review B 82 (2010) 064110–064118; doi:10.1103/PhysRevB.82.064110

data_9016491
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P5, P = 14.4 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              064110
_journal_page_last               064118
_journal_paper_doi               10.1103/PhysRevB.82.064110
_journal_volume                  82
_journal_year                    2010
_chemical_compound_source        'Invigtut, Greenland'
_chemical_formula_sum            'C Fe O3'
_chemical_name_mineral           Siderite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.607
_cell_length_b                   4.607
_cell_length_c                   14.415
_cell_formula_units_Z            6
_cell_volume                     264.961
_database_code_amcsd             0017566
_exptl_crystal_density_diffrn    4.357
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9016491
Structural studies of rutile-type metal dioxides
Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.; Acta Crystallographica, Section B 53 (1997) 373–380; doi:10.1107/S0108768197001468

data_9016492
_publ_section_title
;
 Structural studies of rutile-type metal dioxides
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              373
_journal_page_last               380
_journal_paper_doi               10.1107/S0108768197001468
_journal_volume                  53
_journal_year                    1997
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ge O2'
_chemical_name_mineral           Argutite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.4066
_cell_length_b                   4.4066
_cell_length_c                   2.8619
_cell_formula_units_Z            2
_cell_volume                     55.573
_database_code_amcsd             0019240
_exptl_crystal_density_diffrn    6.252
_cod_database_code               9016492
Primary minerals of the Jachymov ore district Sample J1215P
Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M.; Journal of the Czech Geological Society 48 (2003) 19–147; doi:

data_9016493
_publ_section_title
;
 Primary minerals of the Jachymov ore district
 Sample J1215P
;
_journal_name_full               'Journal of the Czech Geological Society'
_journal_page_first              19
_journal_page_last               147
_journal_volume                  48
_journal_year                    2003
_chemical_compound_source        'Jachymov, Bohemia, Czech Republic'
_chemical_formula_sum            'Fe0.11 S0.99 Zn0.9'
_chemical_name_mineral           Sphalerite
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4174
_cell_length_b                   5.4174
_cell_length_c                   5.4174
_cell_volume                     158.991
_database_code_amcsd             0017595
_exptl_crystal_density_diffrn    4.041
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_formula_sum        'Zn.9 Fe.11 S.99'
_cod_database_code               9016493
Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: standard SREF
Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; American Mineralogist 98 (2013) 297–303; doi:10.2138/am.2013.4285

data_9016494
_publ_section_title
;
 Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species
 of the tourmaline supergroup
 Note: standard SREF
;
_journal_name_full               'American Mineralogist'
_journal_page_first              297
_journal_page_last               303
_journal_paper_doi               10.2138/am.2013.4285
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Cruzeiro mine, Minas Gerais, Brazil'
_chemical_formula_sum
'Al7.149 B3 Ca0.6 F0.76 Fe0.459 H3.24 K0.01 Li1.02 Mn0.279 Na0.78 O30.24 Si6 Zn0.03'
_chemical_name_mineral           Fluor-elbaite
_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_formula_units_Z            3
_cell_length_a                   15.8933
_cell_length_b                   15.8933
_cell_length_c                   7.1222
_cell_volume                     1558.020
_database_code_amcsd             0019777
_exptl_crystal_density_diffrn    3.158
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.78 Ca.6 K.01 Li1.02 Mn.279 Fe.459 Al7.149 Zn.03 B3 Si6 F.76 O30.24 H3.24'
_cod_database_code               9016494
Thermal parameters for minerals of the olivine group: their implication on vibrational spectra, thermodynamic functions and transferable force fields
Pilati, T.; Demartin, F.; Gramaccioli, C. M.; Acta Crystallographica, Section B 51 (1995) 721–733; doi:10.1107/S0108768194014382

data_9016495
_publ_section_title
;
 Thermal parameters for minerals of the olivine group:
 their implication on vibrational spectra,
 thermodynamic functions and transferable force fields
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              721
_journal_page_last               733
_journal_paper_doi               10.1107/S0108768194014382
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'Crestmore, California, USA'
_chemical_formula_sum            'Ca Fe0.12 Mg0.88 O4 Si'
_chemical_name_mineral           Monticellite
_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_length_a                   11.1098
_cell_length_b                   6.3894
_cell_length_c                   4.8281
_cell_formula_units_Z            4
_cell_volume                     342.722
_database_code_amcsd             0019700
_exptl_crystal_density_diffrn    3.106
_cod_original_formula_sum        '(Mg.88 Fe.12) Ca Si O4'
_cod_database_code               9016495
Crystal structure of decasodium di-mue-arsenidobis(diarsenidosilicate) _cod_database_code 1008852
Eisenmann, B.; Klein, J.; Somer, M.; Zeitschrift fur Kristallographie 197 (1991) 265–266; doi:

data_9016496
_publ_section_title
;
 Crystal structure of decasodium di-mue-arsenidobis(diarsenidosilicate)
 _cod_database_code 1008852
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              265
_journal_page_last               266
_journal_volume                  197
_journal_year                    1991
_chemical_formula_sum            'As3 Ge Na5'
_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                 90.2
_cell_angle_gamma                90
_cell_length_a                   13.531
_cell_length_b                   7.544
_cell_length_c                   8.298
_cell_formula_units_Z            4
_cell_volume                     847.037
_database_code_amcsd             0016718
_exptl_crystal_density_diffrn    3.233
_cod_duplicate_entry             1008852
_cod_original_formula_sum        'Ge As3 Na5'
_cod_database_code               9016496
_amcsd_formula_title             'As6 Ge2 Na10'
Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 450 C
Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P.; Mineralogical Magazine 76 (2012) 613–623; doi:10.1180/minmag.2012.076.3.12

data_9016497
_publ_section_title
;
 Thermal expansion of alunite up to dehydroxylation
 and collapse of the crystal structure
 Note: T = 450 C
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              613
_journal_page_last               623
_journal_paper_doi               10.1180/minmag.2012.076.3.12
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        Hungary
_chemical_formula_sum            'Al2.916 H6 K0.876 Na0.071 O14 S2'
_chemical_name_mineral           Alunite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.9916
_cell_length_b                   6.9916
_cell_length_c                   17.621
_cell_volume                     745.958
_database_code_amcsd             0018989
_exptl_crystal_density_diffrn    2.730
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'K.876 Na.071 Al2.916 S2 O14 H6'
_cod_database_code               9016497
A variable-temperature neutron diffraction study of ussingite; a strong asymmetric hydrogen bond in an aluminosilicate framework Note: T = 4 K
Williams, E. R.; Weller, M. T.; Physics and Chemistry of Minerals 39 (2012) 471–478; doi:10.1007/s00269-012-0501-4

data_9016498
_publ_section_title
;
 A variable-temperature neutron diffraction study of ussingite;
 a strong asymmetric hydrogen bond in an aluminosilicate framework
 Note: T = 4 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              471
_journal_page_last               478
_journal_paper_doi               10.1007/s00269-012-0501-4
_journal_volume                  39
_journal_year                    2012
_chemical_compound_source        'Nakalaq, Ilimaussaq complex, Greenland'
_chemical_formula_sum            'Al H Na2 O9 Si3'
_chemical_name_mineral           Ussingite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.835
_cell_angle_beta                 99.771
_cell_angle_gamma                122.581
_cell_length_a                   7.2474
_cell_length_b                   7.6813
_cell_length_c                   8.6432
_cell_formula_units_Z            2
_cell_volume                     396.295
_database_code_amcsd             0019374
_exptl_crystal_density_diffrn    2.533
_cod_original_formula_sum        'Na2 Al Si3 O9 H'
_cod_database_code               9016498
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P20-1, P = 46.92 GPa
Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.; Physical Review B 82 (2010) 064110–064118; doi:10.1103/PhysRevB.82.064110

data_9016499
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P20-1, P = 46.92 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              064110
_journal_page_last               064118
_journal_paper_doi               10.1103/PhysRevB.82.064110
_journal_volume                  82
_journal_year                    2010
_chemical_compound_source        'Invigtut, Greenland'
_chemical_formula_sum            'C Fe O3'
_chemical_name_mineral           Siderite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.372
_cell_length_b                   4.372
_cell_length_c                   12.72
_cell_formula_units_Z            6
_cell_volume                     210.561
_database_code_amcsd             0017581
_exptl_crystal_density_diffrn    5.482
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9016499
Synthese et caracterisation de nouvelles phases du diagramme (K ou Na)-Bi-O _cod_database_code 1004128
Trehoux, J.; Abraham, F.; Thomas, D.; Materials Research Bulletin 17 (1982) 1235–1243; doi:10.1016/0025-5408(82)90158-1

data_9016500
_publ_section_title
;
 Synthese et caracterisation de nouvelles phases du diagramme (K ou Na)-Bi-O
 _cod_database_code 1004128
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1235
_journal_page_last               1243
_journal_paper_doi               10.1016/0025-5408(82)90158-1
_journal_volume                  17
_journal_year                    1982
_chemical_formula_sum            'Bi1.255 Na0.545 O3.43'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.94
_cell_length_b                   10.94
_cell_length_c                   10.94
_cell_formula_units_Z            16
_cell_volume                     1309.339
_database_code_amcsd             0014298
_exptl_crystal_density_diffrn    6.690
_cod_duplicate_entry             1004128
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Na.545 Bi1.255 O3.43'
_cod_database_code               9016500
_amcsd_formula_title             'Bi2.51 H1.3 Na1.09 O6.86'