LMucko/crystallography-open-database huggingface dataset:
The crystal structure of jamesonite, FePb4Sb6S14
Niizeki, N.; Buerger, M. J.; Zeitschrift fur Kristallographie 109 (1957) 161–183; doi:10.1524/zkri.1957.109.1-6.161

data_9008072
_publ_section_title
;
 The crystal structure of jamesonite, FePb4Sb6S14
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              161
_journal_page_last               183
_journal_paper_doi               10.1524/zkri.1957.109.1-6.161
_journal_volume                  109
_journal_year                    1957
_chemical_formula_sum            'Fe Pb4 S14 Sb6'
_chemical_name_mineral           Jamesonite
_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                 91.8
_cell_angle_gamma                90
_cell_length_a                   15.57
_cell_length_b                   18.98
_cell_length_c                   4.03
_cell_formula_units_Z            2
_cell_volume                     1190.352
_database_code_amcsd             0010581
_exptl_crystal_density_diffrn    5.759
_cod_original_formula_sum        'Fe Pb4 Sb6 S14'
_cod_database_code               9008072
Uber komplex zusammengesetzte sulfidische erze. II. Zur struktur des freieslebenits, PbAgSbS3
Hellner, E.; Zeitschrift fur Kristallographie 109 (1957) 284–295; doi:10.1524/zkri.1957.109.1-6.284

data_9008073
_publ_section_title
;
 Uber komplex zusammengesetzte sulfidische erze. II. Zur struktur des
 freieslebenits, PbAgSbS3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              284
_journal_page_last               295
_journal_paper_doi               10.1524/zkri.1957.109.1-6.284
_journal_volume                  109
_journal_year                    1957
_chemical_compound_source        'Hiendelaencina, Spain'
_chemical_formula_sum            'Ag Pb S3 Sb'
_chemical_name_mineral           Freieslebenite
_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                 92.23
_cell_angle_gamma                90
_cell_length_a                   7.53
_cell_length_b                   12.79
_cell_length_c                   5.95
_cell_formula_units_Z            4
_cell_volume                     572.603
_database_code_amcsd             0010582
_exptl_crystal_density_diffrn    6.183
_cod_original_formula_sum        'Pb Ag Sb S3'
_cod_database_code               9008073
Die bestimmung einer bei der entmischung Al2O3-ubersattigter Mg-Al-Spinelle auftretenden zwischenstruktur
Jagodzinski, H.; Zeitschrift fur Kristallographie 109 (1957) 388–409; doi:

data_9008074
_publ_section_title
;
 Die bestimmung einer bei der entmischung Al2O3-ubersattigter Mg-Al-Spinelle
 auftretenden zwischenstruktur
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              388
_journal_page_last               409
_journal_volume                  109
_journal_year                    1957
_chemical_formula_structural     MgAl26O40
_chemical_formula_sum            'Al26 Mg O40'
_space_group_IT_number           10
_symmetry_space_group_name_Hall  '-P 2y'
_symmetry_space_group_name_H-M   'P 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.77
_cell_angle_gamma                90
_cell_length_a                   9.31
_cell_length_b                   5.64
_cell_length_c                   12.10
_cell_formula_units_Z            1
_cell_volume                     624.160
_database_code_amcsd             0010583
_exptl_crystal_density_diffrn    3.634
_cod_original_formula_sum        'Mg Al26 O40'
_cod_database_code               9008074
_amcsd_formula_title             MgAl26O40
Uber komplex zusammengesetzte sulfidische erze VI. Zur kristallstruktur des meneghinits, CuPb13Sb7S24
Euler, R.; Hellner, E.; Zeitschrift fur Kristallographie 113 (1960) 345–372; doi:

data_9008075
_publ_section_title
;
 Uber komplex zusammengesetzte sulfidische erze VI.
 Zur kristallstruktur des meneghinits, CuPb13Sb7S24
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              345
_journal_page_last               372
_journal_volume                  113
_journal_year                    1960
_chemical_formula_sum            'Cu0.25 Pb3.25 S6 Sb1.75'
_chemical_name_mineral           Meneghinite
_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                   11.363
_cell_length_b                   24.057
_cell_length_c                   4.128
_cell_formula_units_Z            4
_cell_volume                     1128.429
_database_code_amcsd             0010585
_exptl_crystal_density_diffrn    6.444
_cod_original_formula_sum        'Cu.25 Pb3.25 Sb1.75 S6'
_cod_database_code               9008075
The crystal structures of clinoenstatite and pigeonite
Morimoto, N.; Appleman, D. E.; Evans, H. T.; Zeitschrift fur Kristallographie 114 (1960) 120–147; doi:

data_9008076
_publ_section_title
;
 The crystal structures of clinoenstatite and pigeonite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              120
_journal_page_last               147
_journal_volume                  114
_journal_year                    1960
_chemical_compound_source        'Asio Mine, Japan'
_chemical_formula_sum            'Ca0.2 Fe1.12 Mg0.68 O6 Si2'
_chemical_name_mineral           Pigeonite
_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                 71.45
_cell_angle_gamma                90
_cell_length_a                   9.731
_cell_length_b                   8.953
_cell_length_c                   5.256
_cell_formula_units_Z            4
_cell_volume                     434.121
_database_code_amcsd             0010588
_exptl_crystal_density_diffrn    3.661
_cod_original_formula_sum        'Ca.2 Fe1.12 Mg.68 Si2 O6'
_cod_database_code               9008076
The crystal structures of clinoenstatite and pigeonite
Morimoto, N.; Appleman, D. E.; Evans, H. T.; Zeitschrift fur Kristallographie 114 (1960) 120–147; doi:

data_9008077
_publ_section_title
;
 The crystal structures of clinoenstatite and pigeonite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              120
_journal_page_last               147
_journal_volume                  114
_journal_year                    1960
_chemical_compound_source
'Bishopville, South Carolina meteorite, heat-treated'
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Clinoenstatite
_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                 71.67
_cell_angle_gamma                90
_cell_length_a                   9.620
_cell_length_b                   8.825
_cell_length_c                   5.188
_cell_formula_units_Z            8
_cell_volume                     418.095
_database_code_amcsd             0010589
_exptl_crystal_density_diffrn    3.190
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9008077
The crystal structures and crystal chemistry of vayrynenite, (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH) Locality: the Viitaniemi pegmatite in the parish of Erajarvi in central Finland
Mrose, M. E.; Appleman, D. E.; Zeitschrift fur Kristallographie 117 (1962) 16–36; doi:10.1524/zkri.1962.117.1.16

data_9008078
_publ_section_title
;The crystal structures and crystal chemistry of vayrynenite,
 (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH) Locality: the Viitaniemi
 pegmatite in the parish of Erajarvi in central Finland
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              16
_journal_page_last               36
_journal_paper_doi               10.1524/zkri.1962.117.1.16
_journal_volume                  117
_journal_year                    1962
_chemical_compound_source
'the Viitaniemi pegmatite in the parish of Erajarvi in central Finland'
_chemical_formula_sum            'Be Fe0.1 H Mn0.8 O5 P'
_chemical_name_mineral           Vayrynenite
_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                 102.75
_cell_angle_gamma                90
_cell_length_a                   5.411
_cell_length_b                   14.49
_cell_length_c                   4.730
_cell_formula_units_Z            4
_cell_volume                     361.713
_database_code_amcsd             0010590
_exptl_crystal_density_diffrn    3.131
_cod_depositor_comments
;
Luca Lutterotti, 10/5/2013

Fixed the sites loop using the article coordinate and data
from AMS web site
;
_cod_original_formula_sum        'Mn.8 Fe.1 Be P O5 H'
_cod_database_code               9008078
The crystal structures and crystal chemistry of vayrynenite, (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH)
Mrose, M. E.; Appleman, D. E.; Zeitschrift fur Kristallographie 117 (1962) 16–36; doi:10.1524/zkri.1962.117.1.16

data_9008079
_publ_section_title
;
 The crystal structures and crystal chemistry of vayrynenite,
 (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              16
_journal_page_last               36
_journal_paper_doi               10.1524/zkri.1962.117.1.16
_journal_volume                  117
_journal_year                    1962
_chemical_compound_source        'Villa Rica, Minas Gerais, Brazil'
_chemical_formula_sum            'Al Be H O5 Si'
_chemical_name_mineral           Euclase
_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                 100.25
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.763
_cell_length_b                   14.29
_cell_length_c                   4.618
_cell_volume                     309.300
_database_code_amcsd             0010591
_exptl_crystal_density_diffrn    3.116
_cod_original_formula_sum        'Al Be Si O5 H'
_cod_database_code               9008079
The crystal structure of the low-temperature phase of NH4NO3(V) at -150 deg C Note: sample at T = -150 C, this is a low temperature form
Amoros, J. L.; Arrese, F.; Canut, M.; Zeitschrift fur Kristallographie 117 (1962) 92–107; doi:10.1524/zkri.1962.117.2-3.92

data_9008080
_publ_section_title
;The crystal structure of the low-temperature phase of NH4NO3(V) at -150 deg C
 Note: sample at T = -150 C, this is a low temperature form
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              92
_journal_page_last               107
_journal_paper_doi               10.1524/zkri.1962.117.2-3.92
_journal_volume                  117
_journal_year                    1962
_chemical_formula_sum            'H4 N2 O3'
_chemical_name_mineral           Gwihabaite
_space_group_IT_number           77
_symmetry_space_group_name_Hall  'P 4c'
_symmetry_space_group_name_H-M   'P 42'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.98
_cell_length_b                   7.98
_cell_length_c                   9.78
_cell_volume                     622.794
_database_code_amcsd             0010592
_diffrn_ambient_temperature      123.15
_exptl_crystal_density_diffrn    1.707
_cod_original_formula_sum        'N2 O3 H4'
_cod_database_code               9008080
Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
Newnham, R. E.; de Haan, Y. M.; Zeitschrift fur Kristallographie 117 (1962) 235–237; doi:

data_9008081
_publ_section_title
;
 Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              235
_journal_page_last               237
_journal_volume                  117
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 O3'
_chemical_name_mineral           Corundum
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.7589
_cell_length_b                   4.7589
_cell_length_c                   12.991
_cell_volume                     254.792
_database_code_amcsd             0010593
_exptl_crystal_density_diffrn    3.987
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9008081
Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
Newnham, R. E.; de Haan, Y. M.; Zeitschrift fur Kristallographie 117 (1962) 235–237; doi:

data_9008082
_publ_section_title
;
 Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              235
_journal_page_last               237
_journal_volume                  117
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O3 Ti2'
_chemical_name_mineral           Tistarite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.149
_cell_length_b                   5.149
_cell_length_c                   13.642
_cell_formula_units_Z            6
_cell_volume                     313.224
_database_code_amcsd             0010594
_exptl_crystal_density_diffrn    4.573
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ti2 O3'
_cod_database_code               9008082
Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
Newnham, R. E.; de Haan, Y. M.; Zeitschrift fur Kristallographie 117 (1962) 235–237; doi:

data_9008083
_publ_section_title
;
 Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              235
_journal_page_last               237
_journal_volume                  117
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O3 V2'
_chemical_name_mineral           Karelianite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.952
_cell_length_b                   4.952
_cell_length_c                   14.002
_cell_formula_units_Z            6
_cell_volume                     297.360
_database_code_amcsd             0010595
_exptl_crystal_density_diffrn    5.022
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'V2 O3'
_cod_database_code               9008083
Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
Newnham, R. E.; de Haan, Y. M.; Zeitschrift fur Kristallographie 117 (1962) 235–237; doi:

data_9008084
_publ_section_title
;
 Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              235
_journal_page_last               237
_journal_volume                  117
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 O3'
_chemical_name_mineral           Eskolaite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.9607
_cell_length_b                   4.9607
_cell_length_c                   13.599
_cell_formula_units_Z            6
_cell_volume                     289.817
_database_code_amcsd             0010596
_exptl_crystal_density_diffrn    5.225
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9008084
A refinement of the crystal structure of gallium
Sharma, B. D.; Donohue, J.; Zeitschrift fur Kristallographie 117 (1962) 293–300; doi:

data_9008085
_publ_section_title
;
 A refinement of the crystal structure of gallium
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              293
_journal_page_last               300
_journal_volume                  117
_journal_year                    1962
_chemical_formula_sum            Ga
_chemical_name_mineral           Gallium
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.523
_cell_length_b                   7.661
_cell_length_c                   4.524
_cell_formula_units_Z            8
_cell_volume                     156.760
_exptl_crystal_density_diffrn    5.909
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9008085
_database_code_amcsd 0010597
Determination and refinement of the crystal structure of bustamite, CaMnSi2O6
Peacor, D. R.; Buerger, M. J.; Zeitschrift fur Kristallographie 117 (1962) 331–343; doi:

data_9008086
_publ_section_title
;Determination and refinement of the crystal structure of bustamite, CaMnSi2O6
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              331
_journal_page_last               343
_journal_volume                  117
_journal_year                    1962
_chemical_compound_source        'Franklin, New Jersey, USA'
_chemical_formula_sum            'Ca Mn O6 Si2'
_chemical_name_mineral           Bustamite
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-F 1'
_space_group_name_H-M_alt        'F -1'
_symmetry_space_group_name_H-M   'F -1'
_cell_angle_alpha                89.48
_cell_angle_beta                 94.85
_cell_angle_gamma                102.93
_cell_length_a                   15.412
_cell_length_b                   7.157
_cell_length_c                   13.824
_cell_formula_units_Z            12
_cell_volume                     1480.777
_database_code_amcsd             0010598
_exptl_crystal_density_diffrn    3.326
_cod_depositor_comments
;
 Updating space group information.

 2018-06-13,
 Antanas Vaitkus
;
_cod_original_formula_sum        'Ca Mn Si2 O6'
_cod_database_code               9008086
Crystal structure and hydrogen bonding of magnesium ammonium sulfate hexahydrate
Margulis, T. N.; Templeton, D. H.; Zeitschrift fur Kristallographie 117 (1962) 344–357; doi:10.1524/zkri.1962.117.5-6.344

data_9008087
_publ_section_title
;
 Crystal structure and hydrogen bonding of magnesium ammonium sulfate
 hexahydrate
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              344
_journal_page_last               357
_journal_paper_doi               10.1524/zkri.1962.117.5-6.344
_journal_volume                  117
_journal_year                    1962
_chemical_formula_sum            'H20 Mg N2 O14 S2'
_chemical_name_mineral           Boussingaultite
_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                 107.14
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.324
_cell_length_b                   12.597
_cell_length_c                   6.211
_cell_volume                     697.110
_database_code_amcsd             0010599
_exptl_crystal_density_diffrn    1.718
_cod_original_formula_sum        'Mg S2 O14 N2 H20'
_cod_database_code               9008087
Polymorphic forms of bismuth phosphate
Mooney-Slater R C L; Zeitschrift fur Kristallographie 117 (1962) 371–385; doi:

data_9008088
_publ_section_title
;
 Polymorphic forms of bismuth phosphate
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              371
_journal_page_last               385
_journal_volume                  117
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi O4 P'
_chemical_name_mineral           Ximengite
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.966
_cell_length_b                   6.966
_cell_length_c                   6.460
_cell_formula_units_Z            3
_cell_volume                     271.475
_database_code_amcsd             0010600
_exptl_crystal_density_diffrn    5.578
_cod_original_formula_sum        'Bi P O4'
_cod_database_code               9008088
Polymorphic forms of bismuth phosphate Note: this is a high-temperature form, with the monazite structure
Mooney-Slater R C L; Zeitschrift fur Kristallographie 117 (1962) 371–385; doi:

data_9008089
_publ_section_title
;
 Polymorphic forms of bismuth phosphate
 Note: this is a high-temperature form, with the monazite structure
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              371
_journal_page_last               385
_journal_volume                  117
_journal_year                    1962
_chemical_formula_structural     BiPO4
_chemical_formula_sum            'Bi O4 P'
_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                 96.3
_cell_angle_gamma                90
_cell_length_a                   4.88
_cell_length_b                   7.06
_cell_length_c                   4.71
_cell_formula_units_Z            2
_cell_volume                     161.293
_database_code_amcsd             0010601
_exptl_crystal_density_diffrn    6.258
_cod_original_formula_sum        'Bi P O4'
_cod_database_code               9008089
_amcsd_formula_title             BiPO4