LMucko/crystallography-open-database huggingface dataset:
Strukturverfeinerung am talk Mg3[(OH)2Si4O10]
Perdikatsis, B.; Burzlaff, H.; Zeitschrift fur Kristallographie 156 (1981) 177–186; doi:

data_9008297
_publ_section_title
;
 Strukturverfeinerung am talk Mg3[(OH)2Si4O10]
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              177
_journal_page_last               186
_journal_volume                  156
_journal_year                    1981
_chemical_compound_source        'Harford County, Maryland, USA'
_chemical_formula_sum            'H2 Mg3 O12 Si4'
_chemical_name_mineral           Talc
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.46
_cell_angle_beta                 98.68
_cell_angle_gamma                90.09
_cell_length_a                   5.290
_cell_length_b                   9.173
_cell_length_c                   9.460
_cell_formula_units_Z            2
_cell_volume                     453.774
_database_code_amcsd             0010839
_exptl_crystal_density_diffrn    2.776
_cod_original_formula_sum        'Si4 Mg3 O12 H2'
_cod_database_code               9008297
Verfeinerung der kristallstruktur eines basaltischen magnesio-hastingsites
Walitzi E M; Walter F; Zeitschrift fur Kristallographie 156 (1981) 197–208; doi:

data_9008298
_publ_section_title
;
 Verfeinerung der kristallstruktur eines basaltischen magnesio-hastingsites
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              197
_journal_page_last               208
_journal_volume                  156
_journal_year                    1981
_chemical_compound_source        'Untertiefenbach, Austria'
_chemical_formula_sum
'Al2.06 Ca1.9 Fe1.654 H0.88 K0.35 Mg3.136 Na0.73 O24 Si5.94 Ti0.315'
_chemical_name_mineral           Magnesiohastingsite
_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                 105.26
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.880
_cell_length_b                   18.0120
_cell_length_c                   5.324
_cell_volume                     914.045
_database_code_amcsd             0010840
_exptl_crystal_density_diffrn    3.265
_cod_original_formula_sum
'Na.73 K.35 Ca1.9 Fe1.654 Mg3.136 Ti.315 (Si5.94 Al2.06) O24 H.88'
_cod_database_code               9008298
X-ray and neutron diffraction study of alums: II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Note: Neutron data
Abdeen, A. M.; Will, G.; Schafer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.; Zeitschrift fur Kristallographie 157 (1981) 147–166; doi:10.1524/zkri.1981.157.3-4.147

data_9008299
_publ_section_title
;
 X-ray and neutron diffraction study of alums:
 II. The crystal structure of methylammonium aluminium alum
 III. The crystal structure of ammonium aluminium alum
 Note: Neutron data
;
_journal_issue                   3-4
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              147
_journal_page_last               166
_journal_paper_doi               10.1524/zkri.1981.157.3-4.147
_journal_volume                  157
_journal_year                    1981
_chemical_formula_sum            'Al H28 N O20 S2'
_chemical_name_mineral           Tschermigite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.248
_cell_length_b                   12.248
_cell_length_c                   12.248
_cell_volume                     1837.365
_database_code_amcsd             0010844
_diffrn_radiation_probe          neutron
_exptl_crystal_density_diffrn    1.639
_cod_depositor_comments
;
 Adding the _diffrn_radiation_probe data item.

 Antanas Vaitkus,
 2017-01-15

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-01-15

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-15
;
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'N H28 Al S2 O20'
_cod_database_code               9008299
Structural investigations of synthetic fairchildite, K2Ca(CO3)2 Note: y(O1) changed to satisfy symmetry constraints
Pertlik, F.; Zeitschrift fur Kristallographie 157 (1981) 199–205; doi:

data_9008300
_publ_section_title
;
 Structural investigations of synthetic fairchildite, K2Ca(CO3)2
 Note: y(O1) changed to satisfy symmetry constraints
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              199
_journal_page_last               205
_journal_volume                  157
_journal_year                    1981
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 Ca K2 O6'
_chemical_name_mineral           Fairchildite
_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_formula_units_Z            2
_cell_length_a                   5.294
_cell_length_b                   5.294
_cell_length_c                   13.355
_cell_volume                     324.147
_database_code_amcsd             0010845
_exptl_crystal_density_diffrn    2.441
_cod_original_formula_sum        'K2 Ca C2 O6'
_cod_database_code               9008300
Polytypie und struktur von gebhardit - Pb8OCl6(As2O5)2
Klaska, R.; Gebert, W.; Zeitschrift fur Kristallographie 159 (1982) 75–76; doi:

data_9008301
_publ_section_title
;
 Polytypie und struktur von gebhardit - Pb8OCl6(As2O5)2
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              75
_journal_page_last               76
_journal_volume                  159
_journal_year                    1982
_chemical_compound_source        'Tsumeb mine, Tsumeb, Namibia'
_chemical_formula_sum            'As4 Cl6 O11 Pb8'
_chemical_name_mineral           Gebhardite
_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                 85.2
_cell_angle_gamma                90
_cell_length_a                   6.724
_cell_length_b                   11.20
_cell_length_c                   34.19
_cell_formula_units_Z            4
_cell_volume                     2565.778
_database_code_amcsd             0010847
_exptl_crystal_density_diffrn    6.073
_cod_original_formula_sum        'Pb8 Cl6 As4 O11'
_cod_database_code               9008301
Crystal structure of synthetic makatite Na2Si4O8(OH)2(H2O)4
Annehed, H.; Faelth, L.; Lincoln, F. J.; Zeitschrift fur Kristallographie 159 (1982) 203–210; doi:

data_9008302
_publ_section_title
;
 Crystal structure of synthetic makatite Na2Si4O8(OH)2(H2O)4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              203
_journal_page_last               210
_journal_volume                  159
_journal_year                    1982
_chemical_formula_sum            'H5 Na O7 Si2'
_chemical_name_mineral           Makatite
_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                 90.64
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.3881
_cell_length_b                   18.094
_cell_length_c                   9.5234
_cell_volume                     1273.011
_database_code_amcsd             0010848
_exptl_crystal_density_diffrn    2.047
_cod_original_formula_sum        'Na Si2 O7 H5'
_cod_database_code               9008302
The crystal structure of rebulite, Tl5Sb5As8S22
Balic-Zunic T; Scavnicar, S.; Engel, P.; Zeitschrift fur Kristallographie 160 (1982) 109–125; doi:

data_9008303
_publ_section_title
;
 The crystal structure of rebulite, Tl5Sb5As8S22
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              109
_journal_page_last               125
_journal_volume                  160
_journal_year                    1982
_chemical_compound_source        'Allchar, Macedonia, Yugoslavia'
_chemical_formula_sum            'As8.55 S22 Sb4.45 Tl5'
_chemical_name_mineral           Rebulite
_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                 105.03
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.441
_cell_length_b                   7.363
_cell_length_c                   32.052
_cell_volume                     3975.247
_database_code_amcsd             0010849
_exptl_crystal_density_diffrn    4.862
_cod_original_formula_sum        'Tl5 Sb4.45 As8.55 S22'
_cod_database_code               9008303
Kristallographische untersuchungen eines petalits mittels neutronenbeugung und transmissionselektronenmikroskopie Locality: Varutrask, Sweden
Tagai, T.; Ried, H.; Joswig, W.; Korekawa, M.; Zeitschrift fur Kristallographie 160 (1982) 159–170; doi:

data_9008304
_publ_section_title
;Kristallographische untersuchungen eines petalits mittels neutronenbeugung
 und transmissionselektronenmikroskopie Locality: Varutrask, Sweden
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              159
_journal_page_last               170
_journal_volume                  160
_journal_year                    1982
_chemical_compound_source        'Varutrask, Sweden'
_chemical_formula_sum            'Al Li O10 Si4'
_chemical_name_mineral           Petalite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.54
_cell_angle_gamma                90
_cell_length_a                   11.737
_cell_length_b                   5.171
_cell_length_c                   7.630
_cell_formula_units_Z            2
_cell_volume                     427.706
_database_code_amcsd             0010850
_exptl_crystal_density_diffrn    2.378
_cod_original_formula_sum        'Li Al Si4 O10'
_cod_database_code               9008304
The crystal structure of simonite, TlHgAs3S6
Engel, P.; Nowacki, W.; Balic-Zunic T; Scavnicar, S.; Zeitschrift fur Kristallographie 161 (1982) 159–166; doi:

data_9008305
_publ_section_title
;
 The crystal structure of simonite, TlHgAs3S6
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              159
_journal_page_last               166
_journal_volume                  161
_journal_year                    1982
_chemical_formula_sum            'As3 Hg S6 Tl'
_chemical_name_mineral           Simonite
_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                 90.15
_cell_angle_gamma                90
_cell_length_a                   5.948
_cell_length_b                   11.404
_cell_length_c                   15.979
_cell_formula_units_Z            4
_cell_volume                     1083.868
_database_code_amcsd             0010851
_exptl_crystal_density_diffrn    5.038
_cod_original_formula_sum        'Tl Hg As3 S6'
_cod_database_code               9008305
Refinement of the structure of ikaite, CaCO3*6(H2O)
Hesse, K. F.; Kuppers, H.; Suess, E.; Zeitschrift fur Kristallographie 163 (1983) 227–231; doi:

data_9008306
_publ_section_title
;
 Refinement of the structure of ikaite, CaCO3*6(H2O)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              227
_journal_page_last               231
_journal_volume                  163
_journal_year                    1983
_chemical_compound_source        'Bransfield Strait, Antarctica'
_chemical_formula_sum            'C H12 Ca O9'
_chemical_name_mineral           Ikaite
_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                 110.53
_cell_angle_gamma                90
_cell_length_a                   8.792
_cell_length_b                   8.310
_cell_length_c                   11.021
_cell_formula_units_Z            4
_cell_volume                     754.071
_database_code_amcsd             0010853
_exptl_crystal_density_diffrn    1.834
_cod_original_formula_sum        'Ca C O9 H12'
_cod_database_code               9008306
(Zr0.33Ti0.67)O2 - ein naturliches zirkonium-titanoxid mit alpha-PbO2-struktur Locality: Rakwana, Sri Lanka
Willgallis, A.; Hartl, H.; Zeitschrift fur Kristallographie 164 (1983) 59–66; doi:

data_9008307
_publ_section_title
;(Zr0.33Ti0.67)O2 - ein naturliches zirkonium-titanoxid mit
 alpha-PbO2-struktur Locality: Rakwana, Sri Lanka
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              59
_journal_page_last               66
_journal_volume                  164
_journal_year                    1983
_chemical_compound_source        'Rakwana, Sri Lanka'
_chemical_formula_sum            'O2 Ti0.67 Zr0.33'
_chemical_name_mineral           Srilankite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.706
_cell_length_b                   5.553
_cell_length_c                   5.024
_cell_formula_units_Z            4
_cell_volume                     131.289
_database_code_amcsd             0010854
_exptl_crystal_density_diffrn    4.765
_cod_original_formula_sum        '(Zr.33 Ti.67) O2'
_cod_database_code               9008307
Re-examination of "P2_1/a coesite" Note: z(O7), z(O8) corrected Note: This is not the structure of coesite, it is a model for a twin
Sasaki, S.; Chen, H. K.; Prewitt, C. T.; Nakajima, Y.; Zeitschrift fur Kristallographie 164 (1983) 67–77; doi:

data_9008308
_publ_section_title
;
 Re-examination of "P2_1/a coesite"
 Note: z(O7), z(O8) corrected
 Note: This is not the structure of coesite, it is a model for a twin
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              67
_journal_page_last               77
_journal_volume                  164
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_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                 120.33
_cell_angle_gamma                90
_cell_length_a                   7.137
_cell_length_b                   12.370
_cell_length_c                   7.174
_cell_formula_units_Z            16
_cell_volume                     546.668
_database_code_amcsd             0010855
_exptl_crystal_density_diffrn    2.920
_cod_original_formula_sum        'Si.5 O'
_cod_database_code               9008308
Studies on clathrasils. III. Crystal structure of melanophlogite, a natural clathrate compound of silica
Gies, H.; Zeitschrift fur Kristallographie 164 (1983) 247–257; doi:

data_9008309
_publ_section_title
;
 Studies on clathrasils. III. Crystal structure of
 melanophlogite, a natural clathrate compound of silica
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              247
_journal_page_last               257
_journal_volume                  164
_journal_year                    1983
_chemical_formula_sum            'C1.66 N2.34 O46 Si23'
_chemical_name_mineral           Melanophlogite
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.436
_cell_length_b                   13.436
_cell_length_c                   13.436
_cell_formula_units_Z            2
_cell_volume                     2425.549
_database_code_amcsd             0010856
_exptl_crystal_density_diffrn    1.964
_cod_original_sg_symbol_H-M      'P m 3 n'
_cod_original_formula_sum        'N2.34 C1.66 Si23 O46'
_cod_database_code               9008309
Verfeinerung der kristallstruktur des monoklinen dikupfer(II)-trihydroxi-nitrates Cu2(NO3)(OH)3
Effenberger, H.; Zeitschrift fur Kristallographie 165 (1983) 127–135; doi:

data_9008310
_publ_section_title
;
 Verfeinerung der kristallstruktur des monoklinen
 dikupfer(II)-trihydroxi-nitrates Cu2(NO3)(OH)3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              127
_journal_page_last               135
_journal_volume                  165
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu2 H3 N O6'
_chemical_name_mineral           Rouaite
_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                 94.48
_cell_angle_gamma                90
_cell_length_a                   5.605
_cell_length_b                   6.087
_cell_length_c                   6.929
_cell_formula_units_Z            2
_cell_volume                     235.679
_database_code_amcsd             0010858
_exptl_crystal_density_diffrn    3.384
_cod_original_formula_sum        'Cu2 N O6 H3'
_cod_database_code               9008310
Crystal structure refinement of jeremejevite (Al6B5F3O15)
Rodellas, C.; Garcia-Blanco S; Vegas, A.; Zeitschrift fur Kristallographie 165 (1983) 255–260; doi:

data_9008311
_publ_section_title
;
 Crystal structure refinement of jeremejevite (Al6B5F3O15)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              255
_journal_page_last               260
_journal_volume                  165
_journal_year                    1983
_chemical_compound_source        'Cape Cross, Namibia'
_chemical_formula_sum            'Al6 B5 F3 O15'
_chemical_name_mineral           Jeremejevite
_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                   8.556
_cell_length_b                   8.556
_cell_length_c                   8.175
_cell_formula_units_Z            2
_cell_volume                     518.275
_database_code_amcsd             0010860
_exptl_crystal_density_diffrn    3.287
_cod_database_code               9008311
Crystal structure of synthetic PbTlAs3S6
Balic-Zunic T; Engel, P.; Zeitschrift fur Kristallographie 165 (1983) 261–269; doi:

data_9008312
_publ_section_title
;
 Crystal structure of synthetic PbTlAs3S6
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              261
_journal_page_last               269
_journal_volume                  165
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As3 Pb S6 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                   47.453
_cell_length_b                   15.476
_cell_length_c                   5.847
_cell_formula_units_Z            16
_cell_volume                     4293.935
_database_code_amcsd             0010861
_exptl_crystal_density_diffrn    5.128
_cod_original_formula_sum        'Pb Tl As3 S6'
_cod_database_code               9008312
Synthesis and crystal structure of 2H-CuAlO2
Kohler, B. U.; Jansen, M.; Zeitschrift fur Kristallographie 165 (1983) 313–314; doi:10.1524/zkri.1983.165.1-4.313

data_9008313
_publ_section_title
;
 Synthesis and crystal structure of 2H-CuAlO2
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              313
_journal_page_last               314
_journal_paper_doi               10.1524/zkri.1983.165.1-4.313
_journal_volume                  165
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Cu O2'
_chemical_name_mineral           Delafossite
_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                   2.858
_cell_length_b                   2.858
_cell_length_c                   11.293
_cell_formula_units_Z            2
_cell_volume                     79.885
_database_code_amcsd             0010862
_exptl_crystal_density_diffrn    5.094
_cod_original_formula_sum        'Cu Al O2'
_cod_database_code               9008313
Bergslagite, a mineral with tetrahedral berylloarsenate sheet anions Note: anisoB's from ICSD
Hansen, S.; Falth, L.; Johnson, O.; Zeitschrift fur Kristallographie 166 (1984) 73–80; doi:

data_9008314
_publ_section_title
;
 Bergslagite, a mineral with tetrahedral berylloarsenate sheet anions
 Note: anisoB's from ICSD
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              73
_journal_page_last               80
_journal_volume                  166
_journal_year                    1984
_chemical_formula_sum            'As Be Ca H O5'
_chemical_name_mineral           Bergslagite
_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                 90.16
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.8818
_cell_length_b                   7.809
_cell_length_c                   10.127
_cell_volume                     386.060
_database_code_amcsd             0010863
_exptl_crystal_density_diffrn    3.527
_cod_original_formula_sum        'Ca Be As O5 H'
_cod_database_code               9008314