LMucko/crystallography-open-database huggingface dataset:
The crystal structures of Bi2Mn4O10, Bi2Al4O9 and Bi2Fe4O9
Niizeki, N.; Wachi, M.; Zeitschrift fur Kristallographie 127 (1968) 173–187; doi:

data_9008148
_publ_section_title
;
 The crystal structures of Bi2Mn4O10, Bi2Al4O9 and Bi2Fe4O9
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              173
_journal_page_last               187
_journal_volume                  127
_journal_year                    1968
_chemical_formula_structural     Bi2Fe4O9
_chemical_formula_sum            'Bi2 Fe4 O9'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.905
_cell_length_b                   8.428
_cell_length_c                   6.005
_cell_formula_units_Z            2
_cell_volume                     400.073
_database_code_amcsd             0010664
_exptl_crystal_density_diffrn    6.519
_cod_database_code               9008148
_amcsd_formula_title             Bi2Fe4O9
A high temperature single crystal diffractometer study of leucite, (K,Na)AlSi2O6 Sample: T = 635 C Locality: Vesuvius, Italy Note: cell parameters were not reported in the paper. A value was chosen that reproduced the reported bond lengths and thermal ellipsoid axes.
Peacor, D. R.; Zeitschrift fur Kristallographie 127 (1968) 213–224; doi:

data_9008149
_publ_section_title
;A high temperature single crystal diffractometer study of leucite,
 (K,Na)AlSi2O6 Sample: T = 635 C Locality: Vesuvius, Italy Note: cell
 parameters were not reported in the paper. A value was chosen that reproduced
 the reported bond lengths and thermal ellipsoid axes.
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              213
_journal_page_last               224
_journal_volume                  127
_journal_year                    1968
_chemical_compound_source        'Vesuvius, Italy'
_chemical_formula_sum            'Al K0.85 Na0.15 O6 Si2'
_chemical_name_mineral           Leucite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.53
_cell_length_b                   13.53
_cell_length_c                   13.53
_cell_formula_units_Z            16
_cell_volume                     2476.814
_database_code_amcsd             0010665
_diffrn_ambient_temperature      908.15
_exptl_crystal_density_diffrn    2.315
_cod_original_formula_sum        '(K.85 Na.15) (Al Si2) O6'
_cod_database_code               9008149
The crystal structure of amarantite, Fe2(SO4)2O*7H2O
Susse, P.; Zeitschrift fur Kristallographie 127 (1968) 261–275; doi:

data_9008150
_publ_section_title
;
 The crystal structure of amarantite, Fe2(SO4)2O*7H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              261
_journal_page_last               275
_journal_volume                  127
_journal_year                    1968
_chemical_compound_source        'Quetena, Chile'
_chemical_formula_sum            'Fe4 H28 O32 S4'
_chemical_name_mineral           Amarantite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.65
_cell_angle_beta                 90.36
_cell_angle_gamma                97.20
_cell_formula_units_Z            1
_cell_length_a                   8.976
_cell_length_b                   11.678
_cell_length_c                   6.698
_cell_volume                     693.052
_database_code_amcsd             0010666
_exptl_crystal_density_diffrn    2.137
_cod_depositor_comments
;
    Z value inserted and formula written as a tetramer
                               miguel
;
_cod_original_formula_sum        'Fe S O8 H7'
_cod_database_code               9008150
The crystal structure of parawollastonite
Trojer, F. J.; Zeitschrift fur Kristallographie 127 (1968) 291–308; doi:

data_9008151
_publ_section_title
;
 The crystal structure of parawollastonite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              291
_journal_page_last               308
_journal_volume                  127
_journal_year                    1968
_chemical_compound_source        'Crestmore, California, USA'
_chemical_formula_sum            'Ca O3 Si'
_chemical_name_mineral           Wollastonite-2M
_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                 95.404
_cell_angle_gamma                90
_cell_length_a                   15.426
_cell_length_b                   7.320
_cell_length_c                   7.066
_cell_formula_units_Z            12
_cell_volume                     794.335
_database_code_amcsd             0010667
_exptl_crystal_density_diffrn    2.914
_cod_original_formula_sum        'Ca Si O3'
_cod_database_code               9008151
The crystal structure of LiAlSi2O6 III (high-quartz solid solution)
Li, C. T.; Zeitschrift fur Kristallographie 127 (1968) 327–348; doi:

data_9008152
_publ_section_title
;
 The crystal structure of LiAlSi2O6 III (high-quartz solid solution)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              327
_journal_page_last               348
_journal_volume                  127
_journal_year                    1968
_chemical_formula_structural     LiAlSi2O6
_chemical_formula_sum            'Al0.333 Li0.333 O2 Si0.667'
_chemical_name_mineral           Spodumene-III
_space_group_IT_number           180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.217
_cell_length_b                   5.217
_cell_length_c                   5.464
_cell_formula_units_Z            3
_cell_volume                     128.790
_database_code_amcsd             0010668
_exptl_crystal_density_diffrn    2.399
_cod_original_formula_sum        'Li.333 (Al.333 Si.667) O2'
_cod_database_code               9008152
The crystal structure of wallisite, PbTlCuAs2S5, the Cu analogue of hatchite PbTlAgAs2S5
Takeuchi, Y.; Ohmasa, M.; Zeitschrift fur Kristallographie 127 (1968) 349–365; doi:

data_9008153
_publ_section_title
;
 The crystal structure of wallisite, PbTlCuAs2S5,
 the Cu analogue of hatchite PbTlAgAs2S5
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              349
_journal_page_last               365
_journal_volume                  127
_journal_year                    1968
_chemical_compound_source        'Lengenbach quarry, Binnatal, Switzerland'
_chemical_formula_sum            'As2 Cu Pb S5 Tl'
_chemical_name_mineral           Wallisite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                55.983
_cell_angle_beta                 62.500
_cell_angle_gamma                69.400
_cell_length_a                   9.215
_cell_length_b                   8.524
_cell_length_c                   7.980
_cell_formula_units_Z            2
_cell_volume                     457.105
_database_code_amcsd             0010669
_exptl_crystal_density_diffrn    5.706
_cod_original_formula_sum        '(Pb Tl) Cu As2 S5'
_cod_database_code               9008153
Die kristallstruktur von Li4GeO4
Vollenkle, H.; Wittmann, A.; Zeitschrift fur Kristallographie 128 (1969) 66–71; doi:10.1524/zkri.1969.128.1-2.66

data_9008154
_publ_section_title
;
 Die kristallstruktur von Li4GeO4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              66
_journal_page_last               71
_journal_paper_doi               10.1524/zkri.1969.128.1-2.66
_journal_volume                  128
_journal_year                    1969
_chemical_formula_structural     Li4GeO4
_chemical_formula_sum            'Ge Li4 O4'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2b 2'
_symmetry_space_group_name_H-M   'B m m b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.76
_cell_length_b                   6.05
_cell_length_c                   7.36
_cell_formula_units_Z            4
_cell_volume                     345.537
_database_code_amcsd             0010670
_exptl_crystal_density_diffrn    3.160
_cod_original_formula_sum        'Li4 Ge O4'
_cod_database_code               9008154
_amcsd_formula_title             Li4GeO4
The crystal structure and one-dimensional disorder of the orange modification of HgI2
Schwarzenbach, D.; Zeitschrift fur Kristallographie 128 (1969) 97–114; doi:

data_9008155
_publ_section_title
;
 The crystal structure and one-dimensional disorder of the orange
 modification of HgI2
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              97
_journal_page_last               114
_journal_volume                  128
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_structural     HgI2
_chemical_formula_sum            'Hg I2'
_chemical_name_mineral           Coccinite
_space_group_IT_number           141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.776
_cell_length_b                   8.776
_cell_length_c                   24.732
_cell_formula_units_Z            16
_cell_volume                     1904.814
_database_code_amcsd             0010671
_exptl_crystal_density_diffrn    6.338
_cod_original_cell_volume        1904.813
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               9008155
Determination and refinement of the crystal structure of margarosanite, PbCa2Si3O9
Freed, R. L.; Peacor, D. R.; Zeitschrift fur Kristallographie 128 (1969) 213–228; doi:10.1524/zkri.1969.128.3-6.213

data_9008156
_publ_section_title
;
 Determination and refinement of the crystal structure of margarosanite,
 PbCa2Si3O9
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              213
_journal_page_last               228
_journal_paper_doi               10.1524/zkri.1969.128.3-6.213
_journal_volume                  128
_journal_year                    1969
_chemical_compound_source
'Parker Shaft, North Mine Hill, Franklin, New Jersey, USA'
_chemical_formula_sum            'Ca2 O9 Pb Si3'
_chemical_name_mineral           Margarosanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                110.36
_cell_angle_beta                 102.98
_cell_angle_gamma                83.02
_cell_length_a                   6.768
_cell_length_b                   9.575
_cell_length_c                   6.718
_cell_formula_units_Z            2
_cell_volume                     397.275
_database_code_amcsd             0010672
_exptl_crystal_density_diffrn    4.310
_cod_original_formula_sum        'Pb Ca2 Si3 O9'
_cod_database_code               9008156
Neubestimmung der kristallstruktur von gratonit, Pb9As4S15
Ribar, B.; Nowacki, W.; Zeitschrift fur Kristallographie 128 (1969) 321–338; doi:10.1524/zkri.1969.128.3-6.321

data_9008157
_publ_section_title
;
 Neubestimmung der kristallstruktur von gratonit, Pb9As4S15
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              321
_journal_page_last               338
_journal_paper_doi               10.1524/zkri.1969.128.3-6.321
_journal_volume                  128
_journal_year                    1969
_chemical_compound_source        'Wiesloch, Germany'
_chemical_formula_sum            'As4 Pb9 S15'
_chemical_name_mineral           Gratonite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   17.758
_cell_length_b                   17.758
_cell_length_c                   7.807
_cell_formula_units_Z            3
_cell_volume                     2132.077
_database_code_amcsd             0010673
_exptl_crystal_density_diffrn    6.181
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Pb9 As4 S15'
_cod_database_code               9008157
The crystal structure of the synthetic zeolite L
Barrer, R. M.; Villiger, H.; Zeitschrift fur Kristallographie 128 (1969) 352–370; doi:

data_9008158
_publ_section_title
;
 The crystal structure of the synthetic zeolite L
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              352
_journal_page_last               370
_journal_volume                  128
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al9 H102 K6 Na3 O93 Si27'
_chemical_name_common            Zeolite-L
_chemical_name_mineral           Zeolite-L
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   18.40
_cell_length_b                   18.40
_cell_length_c                   7.52
_cell_volume                     2204.876
_database_code_amcsd             0010674
_exptl_crystal_density_diffrn    2.181
_cod_original_formula_sum        'K6 Na3 (Al9 Si27) O93 H102'
_cod_database_code               9008158
Die kristallstruktur des Li2ZnCl4*2H2O
Jacobi, H.; Brehler, B.; Zeitschrift fur Kristallographie 128 (1969) 390–405; doi:

data_9008159
_publ_section_title
;
 Die kristallstruktur des Li2ZnCl4*2H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              390
_journal_page_last               405
_journal_volume                  128
_journal_year                    1969
_chemical_formula_structural     Li2ZnCl4*2H2O
_chemical_formula_sum            'Cl4 H4 Li2 O2 Zn'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.24
_cell_length_b                   11.98
_cell_length_c                   6.44
_cell_volume                     790.028
_database_code_amcsd             0010675
_exptl_crystal_density_diffrn    2.162
_cod_original_formula_sum        'Li2 Zn Cl4 (O2 H4)'
_cod_database_code               9008159
_amcsd_formula_title             Li2ZnCl4*2H2O
Kristallstruktur von Pt12Si5
Gold, W.; Schubert, K.; Zeitschrift fur Kristallographie 128 (1969) 406–413; doi:10.1524/zkri.1969.128.3-6.406

data_9008160
_publ_section_title
;
 Kristallstruktur von Pt12Si5
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              406
_journal_page_last               413
_journal_paper_doi               10.1524/zkri.1969.128.3-6.406
_journal_volume                  128
_journal_year                    1969
_chemical_formula_structural     Pt12Si5
_chemical_formula_sum            'Pt12 Si5'
_space_group_IT_number           85
_symmetry_space_group_name_Hall  'P 4ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.404
_cell_length_b                   13.404
_cell_length_c                   5.451
_cell_formula_units_Z            4
_cell_volume                     979.366
_database_code_amcsd             0010676
_exptl_crystal_density_diffrn    16.829
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_database_code               9008160
_amcsd_formula_title             Pt12Si5
Neue AB2-strukturtypen mit siebenfach koordiniertem kation
Barnighausen, H.; Beck, H.; Grueninger, H. W.; Rietschel, E. T.; Schultz, N.; Zeitschrift fur Kristallographie 128 (1969) 430–430; doi:10.1524/zkri.1969.128.16.424

data_9008161
_publ_section_title
;
 Neue AB2-strukturtypen mit siebenfach koordiniertem kation
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              430
_journal_page_last               430
_journal_paper_doi               10.1524/zkri.1969.128.16.424
_journal_volume                  128
_journal_year                    1969
_chemical_formula_structural     Sr(OH)2
_chemical_formula_sum            'H2 O2 Sr'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.889
_cell_length_b                   6.1202
_cell_length_c                   3.9184
_cell_volume                     237.152
_database_code_amcsd             0010677
_exptl_crystal_density_diffrn    3.407
_cod_depositor_comments
;
 Adding the _journal_paper_doi data item.

 Antanas Vaitkus,
 2017-07-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-07-14
;
_cod_original_formula_sum        'Sr (O2 H2)'
_cod_database_code               9008161
_amcsd_formula_title             Sr(OH)2
Neue AB2-strukturtypen mit siebenfach koordiniertem kation
Barnighausen, H.; Beck, H.; Grueninger, H. W.; Rietschel, E. T.; Schultz, N.; Zeitschrift fur Kristallographie 128 (1969) 430–430; doi:10.1524/zkri.1969.128.16.424

data_9008162
_publ_section_title
;
 Neue AB2-strukturtypen mit siebenfach koordiniertem kation
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              430
_journal_page_last               430
_journal_paper_doi               10.1524/zkri.1969.128.16.424
_journal_volume                  128
_journal_year                    1969
_chemical_formula_structural     EuI2
_chemical_formula_sum            'Eu I2'
_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                 98.
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.64
_cell_length_b                   8.26
_cell_length_c                   7.88
_cell_volume                     492.439
_database_code_amcsd             0010678
_exptl_crystal_density_diffrn    5.473
_cod_depositor_comments
;
 Adding the _journal_paper_doi data item.

 Antanas Vaitkus,
 2017-07-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-07-14
;
_cod_database_code               9008162
_amcsd_formula_title             EuI2
Neue AB2-strukturtypen mit siebenfach koordiniertem kation
Barnighausen, H.; Beck, H.; Grueninger, H. W.; Rietschel, E. T.; Schultz, N.; Zeitschrift fur Kristallographie 128 (1969) 430–430; doi:10.1524/zkri.1969.128.16.424

data_9008163
_publ_section_title
;
 Neue AB2-strukturtypen mit siebenfach koordiniertem kation
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              430
_journal_page_last               430
_journal_paper_doi               10.1524/zkri.1969.128.16.424
_journal_volume                  128
_journal_year                    1969
_chemical_formula_structural     SrI2
_chemical_formula_sum            'I2 Sr'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.22
_cell_length_b                   8.22
_cell_length_c                   7.90
_cell_volume                     988.356
_database_code_amcsd             0010679
_exptl_crystal_density_diffrn    4.589
_cod_depositor_comments
;
 Adding the _journal_paper_doi data item.

 Antanas Vaitkus,
 2017-07-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-07-14
;
_cod_original_formula_sum        'Sr I2'
_cod_database_code               9008163
_amcsd_formula_title             SrI2
The crystal structure of orthoenstatite
Morimoto, N.; Koto, K.; Zeitschrift fur Kristallographie 129 (1969) 65–83; doi:

data_9008164
_publ_section_title
;
 The crystal structure of orthoenstatite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              65
_journal_page_last               83
_journal_volume                  129
_journal_year                    1969
_chemical_compound_source        'Bishopville meteorite'
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Enstatite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.210
_cell_length_b                   8.812
_cell_length_c                   5.178
_cell_formula_units_Z            16
_cell_volume                     830.896
_database_code_amcsd             0010680
_exptl_crystal_density_diffrn    3.210
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9008164
Strukturuntersuchungen an bariumazid Ba(N3)2
Walitzi, E. M.; Krischner, H.; Zeitschrift fur Kristallographie 129 (1969) 153–156; doi:

data_9008165
_publ_section_title
;
 Strukturuntersuchungen an bariumazid Ba(N3)2
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              153
_journal_page_last               156
_journal_volume                  129
_journal_year                    1969
_chemical_formula_structural     Ba(N3)2
_chemical_formula_sum            'Ba N6'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.57
_cell_angle_gamma                90
_cell_length_a                   9.63
_cell_length_b                   4.41
_cell_length_c                   5.43
_cell_formula_units_Z            2
_cell_volume                     227.394
_database_code_amcsd             0010681
_exptl_crystal_density_diffrn    3.233
_cod_database_code               9008165
_amcsd_formula_title             Ba(N3)2