LMucko/crystallography-open-database huggingface dataset:
Crystal structure of barium cyclotriphosphate tetrahydrate, Ba3(PO9)3(H2O)4 _cod_database_code 1007162
Averbuch-Pouchot M; Durif, A.; Zeitschrift fur Kristallographie 174 (1986) 219–224; doi:

data_9016103
_publ_section_title
;
 Crystal structure of barium cyclotriphosphate tetrahydrate, Ba3(PO9)3(H2O)4
 _cod_database_code 1007162
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              219
_journal_page_last               224
_journal_volume                  174
_journal_year                    1986
_chemical_formula_sum            'Ba1.5 O11 P3'
_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                 95.38
_cell_angle_gamma                90
_cell_length_a                   16.09
_cell_length_b                   8.368
_cell_length_c                   7.717
_cell_formula_units_Z            4
_cell_volume                     1034.448
_database_code_amcsd             0010957
_exptl_crystal_density_diffrn    3.049
_cod_duplicate_entry             1007162
_cod_original_formula_sum        'Ba1.5 P3 O11'
_cod_database_code               9016103
_amcsd_formula_title             Ba3(PO9)3(H2O)4
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3 _cod_database_code 1010597
Zachariasen, W.; Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1 (1928) 1–165; doi:

data_9016104
_publ_section_title
;
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
 Verbindungen ABO3
 _cod_database_code 1010597
;
_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            'I Na O3'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.75
_cell_length_b                   6.37
_cell_length_c                   4.05
_cell_formula_units_Z            2
_cell_volume                     148.341
_database_code_amcsd             0017478
_exptl_crystal_density_diffrn    4.430
_cod_duplicate_entry             1010597
_cod_original_formula_sum        'Na I O3'
_cod_database_code               9016104
_amcsd_formula_title             'I Na O3'
Low-temperature structures of CuO and AgO and their relationships to those of MgO and PdO Note: T = 11 K
Brese, N. E.; O'Keeffe M; Ramakrishna, B. L.; von Dreele, R. B.; Journal of Solid State Chemistry 89 (1990) 184–190; doi:10.1016/0022-4596(90)90310-T

data_9016105
_publ_section_title
;
 Low-temperature structures of CuO and AgO and their
 relationships to those of MgO and PdO
 Note: T = 11 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              184
_journal_page_last               190
_journal_paper_doi               10.1016/0022-4596(90)90310-T
_journal_volume                  89
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O'
_chemical_name_mineral           Tenorite
_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                 99.567
_cell_angle_gamma                90
_cell_length_a                   4.6833
_cell_length_b                   3.4208
_cell_length_c                   5.1294
_cell_formula_units_Z            4
_cell_volume                     81.033
_database_code_amcsd             0018821
_exptl_crystal_density_diffrn    6.520
_cod_database_code               9016105
Chovanite, Pb15-2xSb14+2xS36Ox (x~0.2), a new sulphosalt species from the Low Tatra Mountains, Western Carpathians, Slovakia
Topa, D.; Sejkora, J.; Makovicky, E.; Prsek, J.; Ozdin, D.; Putz, H.; Dittrich, H.; Karup-Moller S; European Journal of Mineralogy 24 (2012) 727–740; doi:10.1127/0935-1221/2012/0024-2189

data_9016106
_publ_section_title
;
 Chovanite, Pb15-2xSb14+2xS36Ox (x~0.2), a new sulphosalt species from
 the Low Tatra Mountains, Western Carpathians, Slovakia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              727
_journal_page_last               740
_journal_paper_doi               10.1127/0935-1221/2012/0024-2189
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source
'the Low Tatra Mountains, Western Carpathians, Slovakia'
_chemical_formula_sum            'O0.18 Pb13.44 S36 Sb15.56'
_chemical_name_mineral           Chovanite
_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                 106.059
_cell_angle_gamma                90
_cell_length_a                   48.19
_cell_length_b                   4.110
_cell_length_c                   34.24
_cell_formula_units_Z            4
_cell_volume                     6516.969
_database_code_amcsd             0019349
_exptl_crystal_density_diffrn    5.949
_cod_original_formula_sum        'Pb13.44 Sb15.56 S36 O.18'
_cod_database_code               9016106
Potassium pentachloroindate monohydrate, K2 (In Cl5, H2 O) _cod_database_code 1004034
Wignacourt, J.; Mairesse, G.; Barbier, P.; Crystal Structure Communications 5 (1976) 293–296; doi:

data_9016107
_publ_section_title
;
 Potassium pentachloroindate monohydrate, K2 (In Cl5, H2 O)
 _cod_database_code 1004034
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              293
_journal_page_last               296
_journal_volume                  5
_journal_year                    1976
_chemical_formula_sum            'Cl5 In K2 O'
_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                   13.905
_cell_length_b                   9.952
_cell_length_c                   7.185
_cell_formula_units_Z            4
_cell_volume                     994.279
_database_code_amcsd             0012332
_exptl_crystal_density_diffrn    2.580
_cod_duplicate_entry             1004034
_cod_original_formula_sum        'In Cl5 O K2'
_cod_database_code               9016107
_amcsd_formula_title             'Cl5 H2 In K2 O'
Cadmium trimetaphosphate tetradecahydrate, Cd3(P3O9)2(H2O)14 _cod_database_code 1007056
Averbuch-Pouchot M; Durif, A.; Tordjman, I.; Crystal Structure Communications 2 (1973) 89–90; doi:

data_9016108
_publ_section_title
;
 Cadmium trimetaphosphate tetradecahydrate, Cd3(P3O9)2(H2O)14
 _cod_database_code 1007056
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              89
_journal_page_last               90
_journal_volume                  2
_journal_year                    1973
_chemical_formula_sum            'Cd O8 P2'
_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                   12.228
_cell_length_b                   12.228
_cell_length_c                   5.451
_cell_formula_units_Z            3
_cell_volume                     705.859
_database_code_amcsd             0012327
_exptl_crystal_density_diffrn    2.134
_cod_duplicate_entry             1007056
_cod_original_formula_sum        'Cd P2 O8'
_cod_database_code               9016108
_amcsd_formula_title             Cd3(P3O9)2(H2O)14
Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 150 K
Knight, K. S.; Henderson, C. M. B.; European Journal of Mineralogy 19 (2007) 189–200; doi:10.1127/0935-1221/2007/0019-1711

data_9016109
_publ_section_title
;
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 150 K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              189
_journal_page_last               200
_journal_paper_doi               10.1127/0935-1221/2007/0019-1711
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Ba0.5 Cu O10 Si4 Sr0.5'
_chemical_name_mineral           Wesselsite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.39482
_cell_length_b                   7.39482
_cell_length_c                   15.8504
_cell_formula_units_Z            4
_cell_volume                     866.753
_database_code_amcsd             0007211
_exptl_crystal_density_diffrn    3.436
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        '(Ba.5 Sr.5) Cu Si4 O10'
_cod_database_code               9016109
Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LA2n_L_tr
Redhammer, G. J.; Nestola, F.; Miletich, R.; American Mineralogist 97 (2012) 1213–1218; doi:10.2138/am.2012.4099

data_9016110
_publ_section_title
;
 Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry
 Note: Sample #LA2n_L_tr
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1213
_journal_page_last               1218
_journal_paper_doi               10.2138/am.2012.4099
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Ge2 Li O6'
_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                 110.648
_cell_angle_gamma                90
_cell_length_a                   9.8986
_cell_length_b                   8.4008
_cell_length_c                   5.4016
_cell_formula_units_Z            4
_cell_volume                     420.323
_database_code_amcsd             0019065
_exptl_crystal_density_diffrn    4.348
_cod_original_formula_sum        'Li Al Ge2 O6'
_cod_database_code               9016110
_amcsd_formula_title             LiAlGe2O6
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 685 K, split Si model
Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.; American Mineralogist 97 (2012) 573–582; doi:10.2138/am.2012.4010

data_9016111
_publ_section_title
;
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: at room T after heating to T = 685 K, split Si model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              573
_journal_page_last               582
_journal_paper_doi               10.2138/am.2012.4010
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg1.84 O4 Si0.98'
_chemical_name_mineral           Ringwoodite
_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                   8.1031
_cell_length_b                   8.1031
_cell_length_c                   8.1031
_cell_formula_units_Z            8
_cell_volume                     532.051
_database_code_amcsd             0018841
_exptl_crystal_density_diffrn    3.402
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg1.84 Si.98 O4'
_cod_database_code               9016111
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 963 K
Hazen, R. M.; Finger, L. W.; Journal of Applied Physics 59 (1986) 3728–3733; doi:10.1063/1.336756

data_9016112
_publ_section_title
;
 High-pressure and high-temperature crystal chemistry of beryllium oxide
 Note: T = 963 K
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              3728
_journal_page_last               3733
_journal_paper_doi               10.1063/1.336756
_journal_volume                  59
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Be O'
_chemical_name_mineral           Bromellite
_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                   2.7109
_cell_length_b                   2.7109
_cell_length_c                   4.3999
_cell_formula_units_Z            2
_cell_volume                     28.003
_database_code_amcsd             0019188
_exptl_crystal_density_diffrn    2.966
_cod_database_code               9016112
Crystal structure and low-temperature behavior of "disordered" thomsonite T = 98.0 K
Gatta, G. D.; Kahlenberg, V.; Kaindl, R.; Rotiroti, N.; Cappelletti, P.; de Gennaro, M.; American Mineralogist 95 (2010) 495–502; doi:10.2138/am.2010.3353

data_9016113
_publ_section_title
;
 Crystal structure and low-temperature behavior of "disordered" thomsonite
 T = 98.0 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              495
_journal_page_last               502
_journal_paper_doi               10.2138/am.2010.3353
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'Terzigno, Somma-Vesuvius volcanic complex, Naples Province, Italy'
_chemical_formula_sum            'Al2.5 Ca0.798 H5.698 Na0.676 O12.849 Si2.5'
_chemical_name_mineral           Thomsonite-Ca
_space_group_IT_number           53
_symmetry_space_group_name_Hall  '-P 2ab 2ab'
_symmetry_space_group_name_H-M   'P b m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0603
_cell_length_b                   13.0456
_cell_length_c                   6.5981
_cell_volume                     1124.181
_database_code_amcsd             0005038
_exptl_crystal_density_diffrn    2.343
_cod_original_formula_sum        'Na.676 Ca.798 (Al2.5 Si2.5) O12.849 H5.698'
_cod_database_code               9016113
The Structure of Potassium Hexachlorothalliate Dihydrate _cod_database_code 1010517
Hoard, J.; Goldstein, L.; Journal of Chemical Physics 3 (1935) 645–649; doi:10.1063/1.1749568

data_9016114
_publ_section_title
;
 The Structure of Potassium Hexachlorothalliate Dihydrate
 _cod_database_code 1010517
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              645
_journal_page_last               649
_journal_paper_doi               10.1063/1.1749568
_journal_volume                  3
_journal_year                    1935
_chemical_formula_sum            'Cl42 K21 O14 Tl7'
_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                   15.841
_cell_length_b                   15.841
_cell_length_c                   18.005
_cell_formula_units_Z            2
_cell_volume                     4518.126
_database_code_amcsd             0017428
_exptl_crystal_density_diffrn    2.914
_cod_duplicate_entry             1010517
_cod_original_cell_volume        4518.125
_cod_original_formula_sum        'Tl7 Cl42 K21 O14'
_cod_database_code               9016114
_amcsd_formula_title             'Cl6 H4 K3 O2 Tl'
The crystal structure of esperite, with a revised chemical formula, PbCa2(ZnSiO4)3, isostructural with beryllonite
Tait, K. T.; Yang, H.; Downs, R. T.; Li, C.; Pinch, W. W.; American Mineralogist 95 (2010) 699–705; doi:10.2138/am.2010.3415

data_9016115
_publ_section_title
;
 The crystal structure of esperite, with a revised chemical formula,
 PbCa2(ZnSiO4)3, isostructural with beryllonite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              699
_journal_page_last               705
_journal_paper_doi               10.2138/am.2010.3415
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Franklin, New Jersey, USA'
_chemical_formula_sum            'Ca2 O12 Pb Si3 Zn3'
_chemical_name_mineral           Esperite
_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                 90.050
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7889
_cell_length_b                   8.2685
_cell_length_c                   15.2535
_cell_volume                     1108.487
_database_code_amcsd             0005046
_exptl_crystal_density_diffrn    4.553
_cod_original_formula_sum        'Pb Ca2 Zn3 Si3 O12'
_cod_database_code               9016115
Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo
Yamazaki, S.; Toraya, H.; Journal of Applied Crystallography 32 (1999) 51–59; doi:10.1107/S0021889898010206

data_9016116
_publ_section_title
;
 Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4
 using a new weight function in least-squares fitting
 Note: e = eo
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              51
_journal_page_last               59
_journal_paper_doi               10.1107/S0021889898010206
_journal_volume                  32
_journal_year                    1999
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg0.6 Mn1.4 O4 Si'
_chemical_name_mineral           Tephroite
_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                   10.52411
_cell_length_b                   6.17903
_cell_length_c                   4.83927
_cell_formula_units_Z            4
_cell_volume                     314.692
_database_code_amcsd             0019691
_exptl_crystal_density_diffrn    3.875
_cod_original_formula_sum        '(Mn1.4 Mg.6) Si O4'
_cod_database_code               9016116
Synthese et structure de trois niobouranates d'ions monovalents: TlNb2U2O11.5, KNbUO6, et RbNbUO6 _cod_database_code 1001355
Gasperin, M.; Journal of Solid State Chemistry 67 (1987) 219–224; doi:10.1016/0022-4596(87)90357-4

data_9016117
_publ_section_title
;
 Synthese et structure de trois niobouranates d'ions monovalents:
 TlNb2U2O11.5, KNbUO6, et RbNbUO6
 _cod_database_code 1001355
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              219
_journal_page_last               224
_journal_paper_doi               10.1016/0022-4596(87)90357-4
_journal_volume                  67
_journal_year                    1987
_chemical_formula_sum            'Nb O5.75 Tl0.5 U'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.713
_cell_length_b                   10.329
_cell_length_c                   13.947
_cell_formula_units_Z            8
_cell_volume                     1111.124
_database_code_amcsd             0013597
_exptl_crystal_density_diffrn    6.278
_cod_duplicate_entry             1001355
_cod_original_formula_sum        'U Nb Tl.5 O5.75'
_cod_database_code               9016117
_amcsd_formula_title             TlNb2U2O11.5
Structure of vanadyl hydrogenphosphate dihydrate alpha-VO(HPO4)*2H2O solved from X-ray and neutron powder diffraction _cod_database_code 1000083
Le Bail, A.; Ferey, G.; Amoros, P.; Beltran-Portier D; European Journal of Solid State and Inorganic Chemistry 26 (1989) 419–426; doi:

data_9016118
_publ_section_title
;
 Structure of vanadyl hydrogenphosphate dihydrate alpha-VO(HPO4)*2H2O
 solved from X-ray and neutron powder diffraction
 _cod_database_code 1000083
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              419
_journal_page_last               426
_journal_volume                  26
_journal_year                    1989
_chemical_formula_sum            'O7 P 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                 95.44
_cell_angle_gamma                90
_cell_length_a                   7.613
_cell_length_b                   7.431
_cell_length_c                   9.482
_cell_formula_units_Z            4
_cell_volume                     534.002
_database_code_amcsd             0012528
_exptl_crystal_density_diffrn    2.412
_cod_original_formula_sum        'V P O7'
_cod_database_code               9016118
_amcsd_formula_title             VO(HPO4)*2H2O
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim14_q0, untreated
Zema, M.; Tarantino, S. C.; Giorgiani, A.; Mineralogical Magazine 70 (2006) 319–328; doi:10.1180/0026461067030335

data_9016119
_publ_section_title
;
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim14_q0, untreated
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              319
_journal_page_last               328
_journal_paper_doi               10.1180/0026461067030335
_journal_volume                  70
_journal_year                    2006
_chemical_compound_source        'Kimito, Finland'
_chemical_formula_sum            'Fe Nb0.13 O6 Ta1.87'
_chemical_name_mineral           Tapiolite-(Fe)
_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                   4.7551
_cell_length_b                   4.7551
_cell_length_c                   9.2810
_cell_formula_units_Z            2
_cell_volume                     209.852
_database_code_amcsd             0018707
_exptl_crystal_density_diffrn    7.949
_cod_original_formula_sum        'Fe Ta1.87 Nb.13 O6'
_cod_database_code               9016119