LMucko/crystallography-open-database huggingface dataset:
Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma=CuSe, CuSe2, and CuSe2II Locality: Beaverlodge Region, Saskatchewan, Canada
Heyding, R. D.; Murray, R. M.; Canadian Journal of Chemistry 54 (1976) 841–848; doi:10.1139/v76-122

data_9009856
_publ_section_title
;Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma=CuSe, CuSe2, and
 CuSe2II Locality: Beaverlodge Region, Saskatchewan, Canada
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              841
_journal_page_last               848
_journal_paper_doi               10.1139/v76-122
_journal_volume                  54
_journal_year                    1976
_chemical_compound_source        'Beaverlodge Region, Saskatchewan, Canada'
_chemical_formula_sum            'Cu3 Se2'
_chemical_name_mineral           Umangite
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.4024
_cell_length_b                   6.4024
_cell_length_c                   4.2786
_cell_formula_units_Z            2
_cell_volume                     175.383
_database_code_amcsd             0012164
_exptl_crystal_density_diffrn    6.600
_cod_database_code               9009856
Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 3Ca
Sacerdoti, M.; Passaglia, E.; Carnevali, R.; Zeolites 15 (1995) 276–281; doi:10.1016/0144-2449(94)00024-M

data_9009857
_publ_section_title
;
 Structural refinements of Na-, K-, and Ca-exchanged gmelinites
 Note: sample 3Ca
;
_journal_name_full               Zeolites
_journal_page_first              276
_journal_page_last               281
_journal_paper_doi               10.1016/0144-2449(94)00024-M
_journal_volume                  15
_journal_year                    1995
_chemical_compound_source
'San Giorgio perlena, Fara Vincentina, Vicenza, Italy'
_chemical_formula_sum            'Al1.821 Ca1.25 H14 O17.94 Si4.179'
_chemical_name_mineral           Gmelinite-Ca
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.807
_cell_length_b                   13.807
_cell_length_c                   9.792
_cell_volume                     1616.593
_database_code_amcsd             0015870
_exptl_crystal_density_diffrn    2.127
_cod_original_formula_sum        'Ca1.25 (Si4.179 Al1.821) O17.94 H14'
_cod_database_code               9009857
_cell_formula_units_Z 4
Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 1Na
Sacerdoti, M.; Passaglia, E.; Carnevali, R.; Zeolites 15 (1995) 276–281; doi:10.1016/0144-2449(94)00024-M

data_9009858
_publ_section_title
;
 Structural refinements of Na-, K-, and Ca-exchanged gmelinites
 Note: sample 1Na
;
_journal_name_full               Zeolites
_journal_page_first              276
_journal_page_last               281
_journal_paper_doi               10.1016/0144-2449(94)00024-M
_journal_volume                  15
_journal_year                    1995
_chemical_compound_source        'Montecchio Maggiore, Vicenza, Italy'
_chemical_formula_sum            'Al0.642 H6 Na0.9 O5.54 Si1.358'
_chemical_name_mineral           Gmelinite-Na
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.766
_cell_length_b                   13.766
_cell_length_c                   10.076
_cell_volume                     1653.615
_database_code_amcsd             0015871
_exptl_crystal_density_diffrn    2.059
_cod_original_formula_sum        'Na.9 (Si1.358 Al.642) O5.54 H6'
_cod_database_code               9009858
_cell_formula_units_Z 12
Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 2K
Sacerdoti, M.; Passaglia, E.; Carnevali, R.; Zeolites 15 (1995) 276–281; doi:10.1016/0144-2449(94)00024-M

data_9009859
_publ_section_title
;
 Structural refinements of Na-, K-, and Ca-exchanged gmelinites
 Note: sample 2K
;
_journal_name_full               Zeolites
_journal_page_first              276
_journal_page_last               281
_journal_paper_doi               10.1016/0144-2449(94)00024-M
_journal_volume                  15
_journal_year                    1995
_chemical_compound_source        'Queensland, Australia'
_chemical_formula_sum            'Al1.84 H28 K2.86 O16.72 Si4.16'
_chemical_name_mineral           Gmelinite-K
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.687
_cell_length_b                   13.687
_cell_length_c                   10.256
_cell_volume                     1663.892
_database_code_amcsd             0015872
_exptl_crystal_density_diffrn    2.292
_cod_original_formula_sum        'K2.86 (Si4.16 Al1.84) O16.72 H28'
_cod_database_code               9009859
_cell_formula_units_Z 4
The crystal structure of metavauxite
Baur, W. H.; Rao, B. R.; Die Naturwissenschaften 54 (1967) 561–561; doi:

data_9009860
_publ_section_title
;
 The crystal structure of metavauxite
;
_journal_name_full               'Die Naturwissenschaften'
_journal_page_first              561
_journal_page_last               561
_journal_volume                  54
_journal_year                    1967
_chemical_formula_sum            'Al2 Fe H18 O18 P2'
_chemical_name_mineral           Metavauxite
_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                 97.9
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.22
_cell_length_b                   9.56
_cell_length_c                   6.94
_cell_volume                     671.625
_database_code_amcsd             0012432
_exptl_crystal_density_diffrn    2.363
_cod_original_formula_sum        'Fe Al2 P2 O18 H18'
_cod_database_code               9009860
Das erste thiomercurat(II) mit inselstruktur: K6(HgS4)
Sommer, H.; Hoppe, R.; Jansen, M.; Die Naturwissenschaften 63 (1976) 194–195; doi:10.1007/BF00624223

data_9009861
_publ_section_title
;
 Das erste thiomercurat(II) mit inselstruktur: K6(HgS4)
;
_journal_name_full               'Die Naturwissenschaften'
_journal_page_first              194
_journal_page_last               195
_journal_paper_doi               10.1007/BF00624223
_journal_volume                  63
_journal_year                    1976
_chemical_formula_structural     K6HgS4
_chemical_formula_sum            'Hg K6 S4'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.98
_cell_length_b                   9.98
_cell_length_c                   7.64
_cell_formula_units_Z            2
_cell_volume                     658.999
_database_code_amcsd             0012433
_exptl_crystal_density_diffrn    2.840
_cod_original_formula_sum        'K6 Hg S4'
_cod_database_code               9009861
_amcsd_formula_title             K6HgS4
X-ray studies on the binary system Ni-S
Lundqvist, D.; Arkiv for Mineralogi och Geologi 24 (1947) 1–12; doi:

data_9009862
_publ_section_title
;
 X-ray studies on the binary system Ni-S
;
_journal_name_full               'Arkiv for Mineralogi och Geologi'
_journal_page_first              1
_journal_page_last               12
_journal_volume                  24
_journal_year                    1947
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ni
_chemical_name_mineral           Nickel
_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                   3.516
_cell_length_b                   3.516
_cell_length_c                   3.516
_cell_formula_units_Z            4
_cell_volume                     43.466
_database_code_amcsd             0012048
_exptl_crystal_density_diffrn    8.969
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9009862
X-ray studies on the binary system Ni-S Note: spinel structure
Lundqvist, D.; Arkiv for Mineralogi och Geologi 24 (1947) 1–12; doi:

data_9009863
_publ_section_title
;
 X-ray studies on the binary system Ni-S
 Note: spinel structure
;
_journal_name_full               'Arkiv for Mineralogi och Geologi'
_journal_page_first              1
_journal_page_last               12
_journal_volume                  24
_journal_year                    1947
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni3 S4'
_chemical_name_mineral           Polydymite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.457
_cell_length_b                   9.457
_cell_length_c                   9.457
_cell_volume                     845.785
_database_code_amcsd             0012049
_exptl_crystal_density_diffrn    4.780
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9009863
The crystal structure of finnemanite Pb5Cl(AsO3)3
Gabrielson, O.; Arkiv for Mineralogi och Geologi 2 (1956) 1–8; doi:

data_9009864
_publ_section_title
;
 The crystal structure of finnemanite Pb5Cl(AsO3)3
;
_journal_name_full               'Arkiv for Mineralogi och Geologi'
_journal_page_first              1
_journal_page_last               8
_journal_volume                  2
_journal_year                    1956
_chemical_compound_source        'Langban, Varmland, Sweden'
_chemical_formula_sum            'As3 Cl O9 Pb5'
_chemical_name_mineral           Finnemanite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.28
_cell_length_b                   10.28
_cell_length_c                   7
_cell_formula_units_Z            2
_cell_volume                     640.641
_database_code_amcsd             0012044
_exptl_crystal_density_diffrn    7.466
_cod_original_formula_sum        'Pb5 Cl As3 O9'
_cod_database_code               9009864
The crystal structure of barytocalcite BaCa(CO3)2
Alm, K. F.; Arkiv for Mineralogi och Geologi 2 (1960) 399–410; doi:

data_9009865
_publ_section_title
;
 The crystal structure of barytocalcite BaCa(CO3)2
;
_journal_name_full               'Arkiv for Mineralogi och Geologi'
_journal_page_first              399
_journal_page_last               410
_journal_volume                  2
_journal_year                    1960
_chemical_formula_sum            'C2 Ba Ca O6'
_chemical_name_mineral           Barytocalcite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.13
_cell_angle_gamma                90
_cell_length_a                   8.15
_cell_length_b                   5.22
_cell_length_c                   6.58
_cell_formula_units_Z            2
_cell_volume                     268.913
_database_code_amcsd             0012045
_exptl_crystal_density_diffrn    3.673
_cod_original_formula_sum        'Ba Ca C2 O6'
_cod_database_code               9009865
The crystal structure of welinite (Mn+4,W)<1(Mn+2,W,Mg)<3Si(O,OH)7
Moore, P. B.; Arkiv for Mineralogi och Geologi 4 (1969) 459–466; doi:

data_9009866
_publ_section_title
;
 The crystal structure of welinite (Mn+4,W)<1(Mn+2,W,Mg)<3Si(O,OH)7
;
_journal_name_full               'Arkiv for Mineralogi och Geologi'
_journal_page_first              459
_journal_page_last               466
_journal_volume                  4
_journal_year                    1969
_chemical_compound_source        'Langban, Sweden'
_chemical_formula_sum            'Mg0.3 Mn2.81 O7 Si W0.4'
_chemical_name_mineral           Welinite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.155
_cell_length_b                   8.155
_cell_length_c                   4.785
_cell_formula_units_Z            2
_cell_volume                     275.588
_database_code_amcsd             0012047
_exptl_crystal_density_diffrn    4.523
_cod_original_formula_sum        'Mn2.81 W.4 Mg.3 Si O7'
_cod_database_code               9009866
Der strukturtyp von finnemanit, Pb5Cl(AsO3)3
Effenberger, H.; Pertlik, F.; Anzeiger der Osterreichische Akademie der Wissenschaften 114 (1977) 209–211; doi:

data_9009867
_publ_section_title
;
 Der strukturtyp von finnemanit, Pb5Cl(AsO3)3
;
_journal_name_full
'Anzeiger der Osterreichische Akademie der Wissenschaften'
_journal_page_first              209
_journal_page_last               211
_journal_volume                  114
_journal_year                    1977
_chemical_compound_source        'Langban, Varmland, Sweden'
_chemical_formula_sum            'As3 Cl O9 Pb5'
_chemical_name_mineral           Finnemanite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.322
_cell_length_b                   10.322
_cell_length_c                   7.054
_cell_formula_units_Z            2
_cell_volume                     650.869
_database_code_amcsd             0012024
_exptl_crystal_density_diffrn    7.349
_cod_original_formula_sum        'Pb5 Cl As3 O9'
_cod_database_code               9009867
Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit
Mereiter, K.; Preisinger, A.; Anzeiger der Osterreichische Akademie der Wissenschaften 123 (1986) 79–81; doi:

data_9009868
_publ_section_title
;
 Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit
;
_journal_name_full
'Anzeiger der Osterreichische Akademie der Wissenschaften'
_journal_page_first              79
_journal_page_last               81
_journal_volume                  123
_journal_year                    1986
_chemical_compound_source        'Schneeberg, Saxony, Germany'
_chemical_formula_sum            'As Bi2 H O6'
_chemical_name_mineral           Atelestite
_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                 107.08
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.000
_cell_length_b                   7.430
_cell_length_c                   10.831
_cell_volume                     538.475
_database_code_amcsd             0012025
_exptl_crystal_density_diffrn    7.276
_cod_original_formula_sum        'Bi2 As O6 H'
_cod_database_code               9009868
Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit Locality: Tintic, Utah, USA
Mereiter K; Preisinger A; Anzeiger der Osterreichische Akademie der Wissenschaften 123 (1986) 79–81; doi:

data_9009869
_publ_section_title
;
 Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit
 Locality: Tintic, Utah, USA
;
_journal_name_full
'Anzeiger der Osterreichische Akademie der Wissenschaften'
_journal_page_first              79
_journal_page_last               81
_journal_volume                  123
_journal_year                    1986
_chemical_formula_sum            'As3 Bi0.66 Ca0.34 Cu6 H7.8 O21'
_chemical_name_mineral           Mixite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.646
_cell_length_b                   13.646
_cell_length_c                   5.920
_cell_formula_units_Z            2
_cell_volume                     954.692
_cod_original_formula_sum        '(Bi.66 Ca.34) Cu6 As3 O21 H7.8'
_cod_database_code               9009869
Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit
Mereiter, K.; Preisinger, A.; Anzeiger der Osterreichische Akademie der Wissenschaften 123 (1986) 79–81; doi:

data_9009870
_publ_section_title
;
 Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit
;
_journal_name_full
'Anzeiger der Osterreichische Akademie der Wissenschaften'
_journal_page_first              79
_journal_page_last               81
_journal_volume                  123
_journal_year                    1986
_chemical_compound_source        'Schneeberg, Saxony, Germany'
_chemical_formula_sum            'Bi O4 V'
_chemical_name_mineral           Pucherite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2a 2n'
_symmetry_space_group_name_H-M   'P n c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.319
_cell_length_b                   5.050
_cell_length_c                   12.011
_cell_formula_units_Z            4
_cell_volume                     322.627
_database_code_amcsd             0012027
_exptl_crystal_density_diffrn    6.669
_cod_original_formula_sum        'Bi V O4'
_cod_database_code               9009870
Crystal structure determination of the hydrated gallium phosphate GaPO4*2H2O, analog of variscite
Loiseau, T.; Paulet, C.; Ferey, G.; Solid State Chemistry and Crystal Chemistry 1 (1998) 667–674; doi:

data_9009871
_publ_section_title
;Crystal structure determination of the hydrated gallium phosphate GaPO4*2H2O,
 analog of variscite
;
_journal_name_full               'Solid State Chemistry and Crystal Chemistry'
_journal_page_first              667
_journal_page_last               674
_journal_volume                  1
_journal_year                    1998
_chemical_formula_structural     GaP04*2H20
_chemical_formula_sum            'Ga H4 O6 P'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.9260
_cell_length_b                   8.6189
_cell_length_c                   9.7622
_cell_volume                     835.168
_exptl_crystal_density_diffrn    3.193
_cod_original_formula_sum        'Ga P O6 H4'
_cod_database_code               9009871
_cod_duplicate_entry 1000505
Crystal structure and optical properties of (CH3)2NH2CuCl3
Willett, Roger D.; Journal of Chemical Physics 44 (1966) 39–42; doi:10.1063/1.1726475

data_9009872
_publ_section_title
;
 Crystal structure and optical properties of (CH3)2NH2CuCl3
;
_journal_issue                   1
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              39
_journal_page_last               42
_journal_paper_doi               10.1063/1.1726475
_journal_volume                  44
_journal_year                    1966
_chemical_formula_structural     '(C H3)2 N H2 Cu Cl3'
_chemical_formula_sum            'C2 H8 Cl3 Cu N'
_chemical_name_systematic        'Dimethylammonium Copper Chloride'
_space_group_IT_number           15
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90.
_cell_angle_beta                 97.5
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   12.09
_cell_length_b                   8.63
_cell_length_c                   14.49
_cell_volume                     1498.905
_cod_original_cell_volume        1498.9
_cod_original_formula_sum        'C2 H8 Cl3 Cu1 N1'
_cod_database_code               9009872
Lattice parameters between 5 and 298 K and crystal structure at 5 K of cobalt chloride dihydrate Sample: at T = 5 K
Morosin, B.; Journal of Chemical Physics 44 (1966) 252–257; doi:10.1063/1.1726454

data_9009873
_publ_section_title
;Lattice parameters between 5 and 298 K and crystal structure at 5 K of cobalt
 chloride dihydrate Sample: at T = 5 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              252
_journal_page_last               257
_journal_paper_doi               10.1063/1.1726454
_journal_volume                  44
_journal_year                    1966
_chemical_formula_structural     CoCl2(H2O)2
_chemical_formula_sum            'Cl2 Co H4 O2'
_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                 97.60
_cell_angle_gamma                90
_cell_length_a                   7.2069
_cell_length_b                   8.4978
_cell_length_c                   3.5639
_cell_formula_units_Z            2
_cell_volume                     216.346
_database_code_amcsd             0012977
_diffrn_ambient_temperature      5
_exptl_crystal_density_diffrn    2.546
_cod_original_formula_sum        'Co Cl2 O2 H4'
_cod_database_code               9009873
_amcsd_formula_title             CoCl2(H2O)2
Lattice parameters between 5 and 298 K and crystal structure at 5 K of cobalt chloride dihydrate Sample: at T = 298 K
Morosin, B.; Journal of Chemical Physics 44 (1966) 252–257; doi:10.1063/1.1726454

data_9009874
_publ_section_title
;Lattice parameters between 5 and 298 K and crystal structure at 5 K of cobalt
 chloride dihydrate Sample: at T = 298 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              252
_journal_page_last               257
_journal_paper_doi               10.1063/1.1726454
_journal_volume                  44
_journal_year                    1966
_chemical_formula_structural     CoCl2(H2O)2
_chemical_formula_sum            'Cl2 Co H4 O2'
_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                 97.58
_cell_angle_gamma                90
_cell_length_a                   7.2789
_cell_length_b                   8.5533
_cell_length_c                   3.5686
_cell_formula_units_Z            2
_cell_volume                     220.235
_database_code_amcsd             0012978
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    2.501
_cod_original_formula_sum        'Co Cl2 O2 H4'
_cod_database_code               9009874
_amcsd_formula_title             CoCl2(H2O)2