LMucko/crystallography-open-database huggingface dataset:
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008356
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     ScCeSi
_chemical_formula_sum            'Ce Sc Si'
_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                   4.295
_cell_length_b                   4.295
_cell_length_c                   15.78
_cell_formula_units_Z            4
_cell_volume                     291.094
_database_code_amcsd             0010914
_exptl_crystal_density_diffrn    4.864
_cod_original_formula_sum        'Sc Ce Si'
_cod_database_code               9008356
_amcsd_formula_title             ScCeSi
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008357
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     UPTe
_chemical_formula_sum            'P Te U'
_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                   4.100
_cell_length_b                   4.100
_cell_length_c                   17.026
_cell_formula_units_Z            4
_cell_volume                     286.207
_database_code_amcsd             0010915
_exptl_crystal_density_diffrn    9.204
_cod_database_code               9008357
_amcsd_formula_title             UPTe
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008358
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     UAsTe
_chemical_formula_sum            'As Te U'
_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                   4.150
_cell_length_b                   4.150
_cell_length_c                   17.270
_cell_formula_units_Z            4
_cell_volume                     297.433
_database_code_amcsd             0010916
_exptl_crystal_density_diffrn    9.838
_cod_database_code               9008358
_amcsd_formula_title             UAsTe
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008359
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     UAsTe
_chemical_formula_sum            'As Te U'
_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                   4.148
_cell_length_b                   4.148
_cell_length_c                   17.256
_cell_formula_units_Z            4
_cell_volume                     296.905
_database_code_amcsd             0010917
_exptl_crystal_density_diffrn    9.856
_cod_database_code               9008359
_amcsd_formula_title             UAsTe
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008360
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     MnGeSr
_chemical_formula_sum            'Ge Mn Sr'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.40
_cell_length_b                   4.40
_cell_length_c                   7.52
_cell_formula_units_Z            2
_cell_volume                     145.587
_database_code_amcsd             0010918
_exptl_crystal_density_diffrn    4.908
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Mn Sr Ge'
_cod_database_code               9008360
_amcsd_formula_title             MnGeSr
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008361
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     MnCaGe
_chemical_formula_sum            'Ca Ge Mn'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.23
_cell_length_b                   4.23
_cell_length_c                   7.27
_cell_formula_units_Z            2
_cell_volume                     130.081
_database_code_amcsd             0010919
_exptl_crystal_density_diffrn    4.280
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Mn Ca Ge'
_cod_database_code               9008361
_amcsd_formula_title             MnCaGe
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008362
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     MnBaGe
_chemical_formula_sum            'Ba Ge Mn'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.50
_cell_length_b                   4.50
_cell_length_c                   7.92
_cell_formula_units_Z            2
_cell_volume                     160.380
_database_code_amcsd             0010920
_exptl_crystal_density_diffrn    5.485
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Mn Ba Ge'
_cod_database_code               9008362
_amcsd_formula_title             MnBaGe
The Cu2Sb and related structures
Pearson, W. B.; Zeitschrift fur Kristallographie 171 (1985) 23–39; doi:

data_9008363
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     USb2
_chemical_formula_sum            'Sb2 U'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.272
_cell_length_b                   4.272
_cell_length_c                   8.741
_cell_formula_units_Z            2
_cell_volume                     159.523
_database_code_amcsd             0010921
_exptl_crystal_density_diffrn    10.025
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9008363
_amcsd_formula_title             USb2
The crystal structure of jaskolskiite, Cux Pb2+x (Sb,Bi)2-x S5 (x~0.2), a member of the meneghinite homologous series
Makovicky, E.; Norrestam, R.; Zeitschrift fur Kristallographie 171 (1985) 179–194; doi:

data_9008364
_publ_section_title
;
 The crystal structure of jaskolskiite, Cux Pb2+x (Sb,Bi)2-x S5 (x~0.2),
 a member of the meneghinite homologous series
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              179
_journal_page_last               194
_journal_volume                  171
_journal_year                    1985
_chemical_compound_source        'Vena ore deposit, Sweden'
_chemical_formula_sum            'Bi0.51 Cu0.16 Pb2.16 S5 Sb1.31'
_chemical_name_mineral           Jaskolskiite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.312
_cell_length_b                   19.8290
_cell_length_c                   4.088
_cell_formula_units_Z            4
_cell_volume                     916.961
_database_code_amcsd             0010923
_exptl_crystal_density_diffrn    6.404
_cod_original_formula_sum        'Cu.16 Pb2.16 Sb1.31 Bi.51 S5'
_cod_database_code               9008364
Rietveld refinement of the crystal structure of the new zeolite mineral gobbinsite Locality: County Antrim, Northern Ireland
McCusker, L. B.; Baerlocher, C.; Zeitschrift fur Kristallographie 171 (1985) 281–289; doi:

data_9008365
_publ_section_title
;Rietveld refinement of the crystal structure of the new zeolite mineral
 gobbinsite Locality: County Antrim, Northern Ireland
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              281
_journal_page_last               289
_journal_volume                  171
_journal_year                    1985
_chemical_compound_source        'County Antrim, Northern Ireland'
_chemical_formula_sum            'Al3 Ca0.3 H12 K1.125 Na1.3 O21.325 Si5'
_chemical_name_mineral           Gobbinsite
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.108
_cell_length_b                   9.766
_cell_length_c                   10.171
_cell_volume                     1004.027
_database_code_amcsd             0010927
_exptl_crystal_density_diffrn    2.185
_cod_original_formula_sum        'Na1.3 K1.125 (Al3 Si5) O21.325 Ca.3 H12'
_cod_database_code               9008365
Tricalcium silicate Ca3O[SiO4]: The monoclinic superstructure
Nishi, F.; Takeuchi, Y.; Maki, I.; Zeitschrift fur Kristallographie 172 (1985) 297–314; doi:10.1524/zkri.1985.172.3-4.297

data_9008366
_publ_section_title
;
 Tricalcium silicate Ca3O[SiO4]: The monoclinic superstructure
;
_journal_issue                   3-4
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              297
_journal_page_last               314
_journal_paper_doi               10.1524/zkri.1985.172.3-4.297
_journal_volume                  172
_journal_year                    1985
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca27 O45 Si9'
_chemical_name_mineral           Hatrurite
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.12
_cell_angle_gamma                90
_cell_length_a                   33.083
_cell_length_b                   7.027
_cell_length_c                   18.499
_cell_formula_units_Z            4
_cell_volume                     4289.427
_database_code_amcsd             0010938
_exptl_crystal_density_diffrn    3.182
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-29
;
_cod_original_formula_sum        'Ca27 Si9 O45'
_cod_database_code               9008366
Refinement of the crystal structure of jurbanite, Al(SO4)(OH)*5H2O Locality: Cetine mine, Tuscany, Italy
Sabelli, C.; Zeitschrift fur Kristallographie 173 (1985) 33–39; doi:10.1524/zkri.1985.173.1-2.33

data_9008367
_publ_section_title
;
 Refinement of the crystal structure of jurbanite, Al(SO4)(OH)*5H2O
 Locality: Cetine mine, Tuscany, Italy
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              33
_journal_page_last               39
_journal_paper_doi               10.1524/zkri.1985.173.1-2.33
_journal_volume                  173
_journal_year                    1985
_chemical_formula_sum            'Al2 H22 O20 S2'
_chemical_name_mineral           Jurbanite
_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                 101.917
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.3965
_cell_length_b                   12.479
_cell_length_c                   8.1549
_cell_volume                     836.054
_database_code_amcsd             0010939
_exptl_crystal_density_diffrn    1.828
_cod_depositor_comments
;
    Z value inserted and formula changed to consider dinuclear compound
    Renamed water oxygens so that they are recognized as oxygens.
                               miguel
;
_cod_original_formula_sum        'Al S O10 H11'
_cod_database_code               9008367
The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 1 kbar
Takeuchi, Y.; Kudoh, Y.; Sato, G.; Zeitschrift fur Kristallographie 173 (1985) 119–128; doi:

data_9008368
_publ_section_title
;
 The crystal structure of covellite CuS
 under high pressure up to 33 kbar
 Sample: P = 1 kbar
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              119
_journal_page_last               128
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Kosaka mine, Akita Prefecture, Japan'
_chemical_formula_sum            'Cu S'
_chemical_name_mineral           Covellite
_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                   3.796
_cell_length_b                   3.796
_cell_length_c                   16.382
_cell_formula_units_Z            6
_cell_volume                     204.433
_database_code_amcsd             0010940
_diffrn_ambient_pressure         1e+05
_exptl_crystal_density_diffrn    4.660
_cod_database_code               9008368
The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 12 kbar
Takeuchi, Y.; Kudoh, Y.; Sato, G.; Zeitschrift fur Kristallographie 173 (1985) 119–128; doi:

data_9008369
_publ_section_title
;
 The crystal structure of covellite CuS
 under high pressure up to 33 kbar
 Sample: P = 12 kbar
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              119
_journal_page_last               128
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Kosaka mine, Akita Prefecture, Japan'
_chemical_formula_sum            'Cu S'
_chemical_name_mineral           Covellite
_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                   3.768
_cell_length_b                   3.768
_cell_length_c                   16.27
_cell_formula_units_Z            6
_cell_volume                     200.051
_database_code_amcsd             0010941
_diffrn_ambient_pressure         1.2e+06
_exptl_crystal_density_diffrn    4.762
_cod_database_code               9008369
The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 18 kbar
Takeuchi, Y.; Kudoh, Y.; Sato, G.; Zeitschrift fur Kristallographie 173 (1985) 119–128; doi:

data_9008370
_publ_section_title
;
 The crystal structure of covellite CuS
 under high pressure up to 33 kbar
 Sample: P = 18 kbar
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              119
_journal_page_last               128
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Kosaka mine, Akita Prefecture, Japan'
_chemical_formula_sum            'Cu S'
_chemical_name_mineral           Covellite
_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                   3.760
_cell_length_b                   3.760
_cell_length_c                   16.20
_cell_formula_units_Z            6
_cell_volume                     198.345
_database_code_amcsd             0010942
_diffrn_ambient_pressure         1.8e+06
_exptl_crystal_density_diffrn    4.803
_cod_database_code               9008370
The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 21 kbar
Takeuchi, Y.; Kudoh, Y.; Sato, G.; Zeitschrift fur Kristallographie 173 (1985) 119–128; doi:

data_9008371
_publ_section_title
;
 The crystal structure of covellite CuS
 under high pressure up to 33 kbar
 Sample: P = 21 kbar
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              119
_journal_page_last               128
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Kosaka mine, Akita Prefecture, Japan'
_chemical_formula_sum            'Cu S'
_chemical_name_mineral           Covellite
_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                   3.757
_cell_length_b                   3.757
_cell_length_c                   16.19
_cell_formula_units_Z            6
_cell_volume                     197.906
_database_code_amcsd             0010943
_diffrn_ambient_pressure         2.1e+06
_exptl_crystal_density_diffrn    4.813
_cod_database_code               9008371
The crystal structure of covellite CuS under high pressure up to 33 kbar Sample: P = 33 kbar
Takeuchi, Y.; Kudoh, Y.; Sato, G.; Zeitschrift fur Kristallographie 173 (1985) 119–128; doi:

data_9008372
_publ_section_title
;
 The crystal structure of covellite CuS
 under high pressure up to 33 kbar
 Sample: P = 33 kbar
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              119
_journal_page_last               128
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Kosaka mine, Akita Prefecture, Japan'
_chemical_formula_sum            'Cu S'
_chemical_name_mineral           Covellite
_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                   3.729
_cell_length_b                   3.729
_cell_length_c                   16.11
_cell_formula_units_Z            6
_cell_volume                     194.004
_database_code_amcsd             0010944
_diffrn_ambient_pressure         3.3e+06
_exptl_crystal_density_diffrn    4.910
_cod_database_code               9008372
The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 14 kbar
Kudoh, Y.; Takeuchi, Y.; Zeitschrift fur Kristallographie 173 (1985) 305–312; doi:10.1524/zkri.1985.173.3-4.305

data_9008373
_publ_section_title
;
 The effect of pressure on helvite Mn8S2[Be6Si6O24]
 Sample: P = 14 kbar
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              305
_journal_page_last               312
_journal_paper_doi               10.1524/zkri.1985.173.3-4.305
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Schwarzenberg, Saxony'
_chemical_formula_sum            'Be3 Mn4 O12 S Si3'
_chemical_name_mineral           Helvine
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.261
_cell_length_b                   8.261
_cell_length_c                   8.261
_cell_formula_units_Z            2
_cell_volume                     563.765
_database_code_amcsd             0010952
_diffrn_ambient_pressure         1.4e+06
_exptl_crystal_density_diffrn    3.270
_cod_original_formula_sum        'Mn4 Be3 Si3 O12 S'
_cod_database_code               9008373
The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 27 kbar
Kudoh, Y.; Takeuchi, Y.; Zeitschrift fur Kristallographie 173 (1985) 305–312; doi:10.1524/zkri.1985.173.3-4.305

data_9008374
_publ_section_title
;
 The effect of pressure on helvite Mn8S2[Be6Si6O24]
 Sample: P = 27 kbar
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              305
_journal_page_last               312
_journal_paper_doi               10.1524/zkri.1985.173.3-4.305
_journal_volume                  173
_journal_year                    1985
_chemical_compound_source        'Schwarzenberg, Saxony'
_chemical_formula_sum            'Be3 Mn4 O12 S Si3'
_chemical_name_mineral           Helvine
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.223
_cell_length_b                   8.223
_cell_length_c                   8.223
_cell_formula_units_Z            2
_cell_volume                     556.021
_database_code_amcsd             0010953
_diffrn_ambient_pressure         2.7e+06
_exptl_crystal_density_diffrn    3.316
_cod_original_formula_sum        'Mn4 Be3 Si3 O12 S'
_cod_database_code               9008374