LMucko/crystallography-open-database huggingface dataset:
The crystal structure of beta spodumene, LiAlSi2O6-II
Clarke, P. T.; Spink, J. M.; Zeitschrift fur Kristallographie 130 (1969) 420–426; doi:

data_9008186
_publ_section_title
;
 The crystal structure of beta spodumene, LiAlSi2O6-II
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              420
_journal_page_last               426
_journal_volume                  130
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Spodumene-II
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.534
_cell_length_b                   7.543
_cell_length_c                   9.158
_cell_formula_units_Z            4
_cell_volume                     520.440
_database_code_amcsd             0010702
_exptl_crystal_density_diffrn    2.375
_cod_original_formula_sum        'Li (Al Si2) O6'
_cod_database_code               9008186
Refinement of the crystal structure of hardystonite, Ca2ZnSi2O7
Louisnathan, S. J.; Zeitschrift fur Kristallographie 130 (1969) 427–437; doi:

data_9008187
_publ_section_title
;
 Refinement of the crystal structure of hardystonite, Ca2ZnSi2O7
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              427
_journal_page_last               437
_journal_volume                  130
_journal_year                    1969
_chemical_compound_source        'Franklin, New Jersey, USA'
_chemical_formula_sum            'Ca2 O7 Si2 Zn'
_chemical_name_mineral           Hardystonite
_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                   7.8279
_cell_length_b                   7.8279
_cell_length_c                   5.0138
_cell_formula_units_Z            2
_cell_volume                     307.226
_database_code_amcsd             0010703
_exptl_crystal_density_diffrn    3.391
_cod_original_formula_sum        'Ca2 Zn Si2 O7'
_cod_database_code               9008187
The crystal structure of fresnoite, Ba2(TiO)Si2O7 Positive polarity
Moore, P. B.; Louisnathan, S. J.; Zeitschrift fur Kristallographie 130 (1969) 438–448; doi:

data_9008188
_publ_section_title
;
 The crystal structure of fresnoite, Ba2(TiO)Si2O7
 Positive polarity
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              438
_journal_page_last               448
_journal_volume                  130
_journal_year                    1969
_chemical_compound_source
'sanbornite deposits of eastern Fresno County, California, USA'
_chemical_formula_sum            'Ba2 O8 Si2 Ti'
_chemical_name_mineral           Fresnoite
_space_group_IT_number           100
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.518
_cell_length_b                   8.518
_cell_length_c                   5.211
_cell_formula_units_Z            2
_cell_volume                     378.091
_database_code_amcsd             0010704
_exptl_crystal_density_diffrn    4.451
_cod_original_formula_sum        'Ba2 Ti Si2 O8'
_cod_database_code               9008188
The crystal structure of fresnoite, Ba2(TiO)Si2O7 Negative polarity
Moore, P. B.; Louisnathan, S. J.; Zeitschrift fur Kristallographie 130 (1969) 438–448; doi:

data_9008189
_publ_section_title
;
 The crystal structure of fresnoite, Ba2(TiO)Si2O7
 Negative polarity
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              438
_journal_page_last               448
_journal_volume                  130
_journal_year                    1969
_chemical_compound_source
'sanbornite deposits of eastern Fresno County, California, USA'
_chemical_formula_sum            'Ba2 O8 Si2 Ti'
_chemical_name_mineral           Fresnoite
_space_group_IT_number           100
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.518
_cell_length_b                   8.518
_cell_length_c                   5.211
_cell_formula_units_Z            2
_cell_volume                     378.091
_database_code_amcsd             0010705
_exptl_crystal_density_diffrn    4.451
_cod_original_formula_sum        'Ba2 Ti Si2 O8'
_cod_database_code               9008189
The crystal structure of triploidite and its relation to the structures of other minerals of the triplite-triploidite group Refinement with reflections for which I > 1.2Imin, this is the poorer refinement Locality: Branchville, Connecticut, USA
Waldrop, L.; Zeitschrift fur Kristallographie 131 (1970) 1–20; doi:

data_9008190
_publ_section_title
;The crystal structure of triploidite and its relation to the structures of
 other minerals of the triplite-triploidite group Refinement with reflections
 for which I > 1.2Imin, this is the poorer refinement Locality: Branchville,
 Connecticut, USA
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              1
_journal_page_last               20
_journal_volume                  131
_journal_year                    1970
_chemical_compound_source        'Branchville, Connecticut, USA'
_chemical_formula_sum            'Fe0.5 H Mn1.5 O5 P'
_chemical_name_mineral           Triploidite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.23
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   12.366
_cell_length_b                   13.276
_cell_length_c                   9.943
_cell_volume                     1550.422
_database_code_amcsd             0010706
_exptl_crystal_density_diffrn    3.810
_cod_original_formula_sum        '(Mn1.5 Fe.5) P O5 H'
_cod_database_code               9008190
The crystal structure of triploidite and its relation to the structures of other minerals of the triplite-triploidite group Refinement with all F_o's, this is the better refinement
Waldrop, L.; Zeitschrift fur Kristallographie 131 (1970) 1–20; doi:

data_9008191
_publ_section_title
;
 The crystal structure of triploidite and its relation to the structures
 of other minerals of the triplite-triploidite group
 Refinement with all F_o's, this is the better refinement
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              1
_journal_page_last               20
_journal_volume                  131
_journal_year                    1970
_chemical_compound_source        'Branchville, Connecticut, USA'
_chemical_formula_sum            'Fe0.5 H Mn1.5 O5 P'
_chemical_name_mineral           Triploidite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.23
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   12.366
_cell_length_b                   13.276
_cell_length_c                   9.943
_cell_volume                     1550.422
_database_code_amcsd             0010707
_exptl_crystal_density_diffrn    3.810
_cod_original_formula_sum        '(Mn1.5 Fe.5) P O5 H'
_cod_database_code               9008191
The struture of of Ba3(VO4)2
Susse, P.; Buerger, M. J.; Zeitschrift fur Kristallographie 131 (1970) 161–174; doi:10.1524/zkri.1970.131.1-6.161

data_9008192
_publ_section_title
;
 The struture of of Ba3(VO4)2
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              161
_journal_page_last               174
_journal_paper_doi               10.1524/zkri.1970.131.1-6.161
_journal_volume                  131
_journal_year                    1970
_chemical_formula_structural     Ba3(VO4)2
_chemical_formula_sum            'Ba3 O8 V2'
_chemical_name_mineral           Gurimite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                43.14
_cell_angle_beta                 43.14
_cell_angle_gamma                43.14
_cell_length_a                   7.837
_cell_length_b                   7.837
_cell_length_c                   7.837
_cell_formula_units_Z            1
_cell_volume                     204.048
_database_code_amcsd             0010708
_exptl_crystal_density_diffrn    5.223
_cod_original_sg_symbol_H-M      'R -3 2/m'
_cod_original_formula_sum        'Ba3 V2 O8'
_cod_database_code               9008192
The space group and crystal structure of trizinc diorthoborate
Baur, W. H.; Tillmanns, E.; Zeitschrift fur Kristallographie 131 (1970) 213–221; doi:10.1524/zkri.1970.131.1-6.213

data_9008193
_publ_section_title
;
 The space group and crystal structure of trizinc diorthoborate
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              213
_journal_page_last               221
_journal_paper_doi               10.1524/zkri.1970.131.1-6.213
_journal_volume                  131
_journal_year                    1970
_chemical_formula_structural     Zn3(BO3)2
_chemical_formula_sum            'B2 O6 Zn3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.53
_cell_angle_gamma                90
_cell_length_a                   23.406
_cell_length_b                   5.048
_cell_length_c                   8.381
_cell_formula_units_Z            8
_cell_volume                     981.705
_database_code_amcsd             0010709
_exptl_crystal_density_diffrn    4.246
_cod_original_formula_sum        'Zn3 B2 O6'
_cod_database_code               9008193
_amcsd_formula_title             Zn3(BO3)2
Die kristallstruktur des meteoritischen rhabdits (Fe,Ni)3P
Doenitz, F. D.; Zeitschrift fur Kristallographie 131 (1970) 222–236; doi:10.1524/zkri.1970.131.1-6.222

data_9008194
_publ_section_title
;
 Die kristallstruktur des meteoritischen rhabdits (Fe,Ni)3P
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              222
_journal_page_last               236
_journal_paper_doi               10.1524/zkri.1970.131.1-6.222
_journal_volume                  131
_journal_year                    1970
_chemical_compound_source        'meteorite of Buei Muerto, Tocopilla, Chile'
_chemical_formula_sum            'Fe2 Ni P'
_chemical_name_mineral           Schreibersite
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.040
_cell_length_b                   9.040
_cell_length_c                   4.462
_cell_formula_units_Z            8
_cell_volume                     364.642
_database_code_amcsd             0010710
_exptl_crystal_density_diffrn    7.336
_cod_database_code               9008194
The crystal structure of synthetic soda melilite, CaNaAlSi2O7
Louisnathan, S. J.; Zeitschrift fur Kristallographie 131 (1970) 314–321; doi:

data_9008195
_publ_section_title
;
 The crystal structure of synthetic soda melilite, CaNaAlSi2O7
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              314
_journal_page_last               321
_journal_volume                  131
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Ca Na O7 Si2'
_chemical_name_mineral           Melilite
_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                   7.6344
_cell_length_b                   7.6344
_cell_length_c                   5.0513
_cell_formula_units_Z            2
_cell_volume                     294.410
_database_code_amcsd             0010711
_exptl_crystal_density_diffrn    2.913
_cod_original_formula_sum        '(Ca Na) Al Si2 O7'
_cod_database_code               9008195
Die kristallstruktur von rathit-II [As25 S56|PbVII6.5 PBIX12]
Engel, P.; Nowacki, W.; Zeitschrift fur Kristallographie 131 (1970) 356–375; doi:10.1524/zkri.1970.131.1-6.356

data_9008196
_publ_section_title
;
 Die kristallstruktur von rathit-II [As25 S56|PbVII6.5 PBIX12]
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              356
_journal_page_last               375
_journal_paper_doi               10.1524/zkri.1970.131.1-6.356
_journal_volume                  131
_journal_year                    1970
_chemical_compound_source        'Lengenbach, Binnatal, Switzerland'
_chemical_formula_sum            'As25.25 Pb18.5 S56'
_chemical_name_mineral           Rathite
_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                 90.133
_cell_angle_gamma                90
_cell_length_a                   8.371
_cell_length_b                   70.49
_cell_length_c                   7.914
_cell_formula_units_Z            2
_cell_volume                     4669.816
_database_code_amcsd             0010712
_exptl_crystal_density_diffrn    5.349
_cod_original_cell_volume        4669.815
_cod_original_formula_sum        'Pb18.5 As25.25 S56'
_cod_database_code               9008196
Verfeinerung der kristallstruktur von bournonit [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)] und von seligmannit [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)] Locality: Kanton Graubunden
Edenharter, A.; Nowacki, W.; Takeuchi, Y.; Zeitschrift fur Kristallographie 131 (1970) 397–417; doi:

data_9008197
_publ_section_title
;Verfeinerung der kristallstruktur von bournonit
 [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)] und von seligmannit
 [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)] Locality: Kanton Graubunden
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              397
_journal_page_last               417
_journal_volume                  131
_journal_year                    1970
_chemical_compound_source        'Kanton Graubunden'
_chemical_formula_sum            'Cu Pb S3 Sb'
_chemical_name_mineral           Bournonite
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 -2bc'
_symmetry_space_group_name_H-M   'P n 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.153
_cell_length_b                   8.692
_cell_length_c                   7.793
_cell_volume                     552.258
_database_code_amcsd             0010713
_exptl_crystal_density_diffrn    5.878
_cod_original_formula_sum        'Pb Sb Cu S3'
_cod_database_code               9008197
Zur kristallstruktur von strontianit, SrCO3
Pannhorst, W.; Lohn, J.; Zeitschrift fur Kristallographie 131 (1970) 455–459; doi:

data_9008198
_publ_section_title
;
 Zur kristallstruktur von strontianit, SrCO3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              455
_journal_page_last               459
_journal_volume                  131
_journal_year                    1970
_chemical_formula_sum            'C O3 Sr'
_chemical_name_mineral           Strontianite
_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                   6.020
_cell_length_b                   5.093
_cell_length_c                   8.376
_cell_formula_units_Z            4
_cell_volume                     256.807
_database_code_amcsd             0010714
_exptl_crystal_density_diffrn    3.818
_cod_original_formula_sum        'Sr C O3'
_cod_database_code               9008198
Verfeinerung der kristallstruktur von bournonit [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)] und von seligmannit [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)] Locality: Lengenbach, Binnatal, Switzerland
Edenharter, A.; Nowacki, W.; Takeuchi, Y.; Zeitschrift fur Kristallographie 131 (1970) 397–417; doi:

data_9008199
_publ_section_title
;Verfeinerung der kristallstruktur von bournonit
 [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)] und von seligmannit
 [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)] Locality: Lengenbach, Binnatal, Switzerland
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              397
_journal_page_last               417
_journal_volume                  131
_journal_year                    1970
_chemical_compound_source        'Lengenbach, Binnatal, Switzerland'
_chemical_formula_sum            'As Cu Pb S3'
_chemical_name_mineral           Seligmannite
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 -2bc'
_symmetry_space_group_name_H-M   'P n 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.076
_cell_length_b                   8.737
_cell_length_c                   7.634
_cell_formula_units_Z            4
_cell_volume                     538.655
_database_code_amcsd             0010715
_exptl_crystal_density_diffrn    5.449
_cod_original_formula_sum        'Pb As Cu S3'
_cod_database_code               9008199
A redetermination of the crystal structure of aikinite [BiS2|S|CuIVPbVII]
Ohmasa, M.; Nowacki, W.; Zeitschrift fur Kristallographie 132 (1970) 71–86; doi:

data_9008200
_publ_section_title
;
 A redetermination of the crystal structure of aikinite [BiS2|S|CuIVPbVII]
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              71
_journal_page_last               86
_journal_volume                  132
_journal_year                    1970
_chemical_compound_source        'Beresowsk, Ural'
_chemical_formula_sum            'Bi Cu Pb S3'
_chemical_name_mineral           Aikinite
_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                   11.638
_cell_length_b                   4.039
_cell_length_c                   11.319
_cell_formula_units_Z            4
_cell_volume                     532.060
_database_code_amcsd             0010716
_exptl_crystal_density_diffrn    7.190
_cod_original_formula_sum        'Bi S3 Cu Pb'
_cod_database_code               9008200
Crystal structure of fabianite, CaB3O5(OH), and comparison with the structure of its syntheic dimorph
Konnert, J. A.; Clark, J. R.; Christ, C. L.; Zeitschrift fur Kristallographie 132 (1970) 241–254; doi:

data_9008201
_publ_section_title
;
 Crystal structure of fabianite, CaB3O5(OH), and comparison with the
 structure of its syntheic dimorph
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              241
_journal_page_last               254
_journal_volume                  132
_journal_year                    1970
_chemical_compound_source        'salt deposits near Diepholz, Germany'
_chemical_formula_sum            'B3 Ca H O6'
_chemical_name_mineral           Fabianite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.38
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.593
_cell_length_b                   10.488
_cell_length_c                   6.365
_cell_volume                     403.986
_database_code_amcsd             0010718
_exptl_crystal_density_diffrn    2.787
_cod_original_formula_sum        'Ca B3 (O6 H)'
_cod_database_code               9008201
Refinement of the crystal structure of cubanite and polymorphism of CuFe2S3 Sample: anisotropic refinement Note: x(S1) corrected
Fleet, M. E.; Zeitschrift fur Kristallographie 132 (1971) 276–287; doi:

data_9008202
_publ_section_title
;
 Refinement of the crystal structure of
 cubanite and polymorphism of CuFe2S3
 Sample: anisotropic refinement
 Note: x(S1) corrected
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              276
_journal_page_last               287
_journal_volume                  132
_journal_year                    1971
_chemical_formula_sum            'Cu Fe2 S3'
_chemical_name_mineral           Cubanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.4679
_cell_length_b                   11.1201
_cell_length_c                   6.2336
_cell_formula_units_Z            4
_cell_volume                     448.344
_database_code_amcsd             0010719
_exptl_crystal_density_diffrn    4.021
_cod_database_code               9008202
Refinement of the crystal structure of cubanite and polymorphism of CuFe2S3 Sample: isotropic refinement
Fleet, M. E.; Zeitschrift fur Kristallographie 132 (1971) 276–287; doi:

data_9008203
_publ_section_title
;
 Refinement of the crystal structure of
 cubanite and polymorphism of CuFe2S3
 Sample: isotropic refinement
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              276
_journal_page_last               287
_journal_volume                  132
_journal_year                    1971
_chemical_formula_sum            'Cu Fe2 S3'
_chemical_name_mineral           Cubanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.4679
_cell_length_b                   11.1201
_cell_length_c                   6.2336
_cell_formula_units_Z            4
_cell_volume                     448.344
_database_code_amcsd             0010720
_exptl_crystal_density_diffrn    4.021
_cod_database_code               9008203
The crystal structure of quenselite
Rouse, R. C.; Zeitschrift fur Kristallographie 134 (1971) 321–332; doi:

data_9008204
_publ_section_title
;
 The crystal structure of quenselite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              321
_journal_page_last               332
_journal_volume                  134
_journal_year                    1971
_chemical_compound_source        'Langban, Sweden'
_chemical_formula_sum            'H Mn O3 Pb'
_chemical_name_mineral           Quenselite
_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                 93.0
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.61
_cell_length_b                   5.70
_cell_length_c                   9.15
_cell_volume                     292.189
_database_code_amcsd             0010724
_exptl_crystal_density_diffrn    7.073
_cod_original_formula_sum        'Pb Mn O3 H'
_cod_database_code               9008204