LMucko/crystallography-open-database huggingface dataset:
Crystal structures and electron densities of nickel and iron silicate spinels at elevated temperature or pressure P = 36.5 kbar, T = 23 C
Finger, L. W.; Hazen, R. M.; Yagi, T.; American Mineralogist 64 (1979) 1002–1009; doi:

data_9000733
_publ_section_title
;Crystal structures and electron densities of nickel and iron silicate spinels
 at elevated temperature or pressure P = 36.5 kbar, T = 23 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1002
_journal_page_last               1009
_journal_volume                  64
_journal_year                    1979
_chemical_formula_structural     'Ni2 (Si O4)'
_chemical_formula_sum            'Ni2 O4 Si'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0036
_cell_length_b                   8.0036
_cell_length_c                   8.0036
_cell_formula_units_Z            8
_cell_volume                     512.692
_database_code_amcsd             0000746
_diffrn_ambient_pressure         3.65e+06
_diffrn_ambient_temperature      296.15
_exptl_crystal_density_diffrn    5.427
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Ni2 Si O4'
_cod_database_code               9000733
_amcsd_formula_title             Ni2SiO4
Crystal structures and electron densities of nickel and iron silicate spinels at elevated temperature or pressure P = 38.2 kbar, T = 23 C
Finger, L. W.; Hazen, R. M.; Yagi, T.; American Mineralogist 64 (1979) 1002–1009; doi:

data_9000734
_publ_section_title
;Crystal structures and electron densities of nickel and iron silicate spinels
 at elevated temperature or pressure P = 38.2 kbar, T = 23 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1002
_journal_page_last               1009
_journal_volume                  64
_journal_year                    1979
_chemical_formula_structural     'Ni2 (Si O4)'
_chemical_formula_sum            'Ni2 O4 Si'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0014
_cell_length_b                   8.0014
_cell_length_c                   8.0014
_cell_formula_units_Z            8
_cell_volume                     512.269
_database_code_amcsd             0000747
_diffrn_ambient_pressure         3.82e+06
_diffrn_ambient_temperature      296.15
_exptl_crystal_density_diffrn    5.432
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Ni2 Si O4'
_cod_database_code               9000734
_amcsd_formula_title             Ni2SiO4
Crystal structures and electron densities of nickel and iron silicate spinels at elevated temperature or pressure P = 0.001 kbar, T = 23 C
Finger, L. W.; Hazen, R. M.; Yagi, T.; American Mineralogist 64 (1979) 1002–1009; doi:

data_9000735
_publ_section_title
;Crystal structures and electron densities of nickel and iron silicate spinels
 at elevated temperature or pressure P = 0.001 kbar, T = 23 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1002
_journal_page_last               1009
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_structural     'Fe2 (Si O4)'
_chemical_formula_sum            'Fe2 O4 Si'
_chemical_name_mineral           Ahrensite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.236
_cell_length_b                   8.236
_cell_length_c                   8.236
_cell_formula_units_Z            8
_cell_volume                     558.662
_database_code_amcsd             0000748
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      296.15
_exptl_crystal_density_diffrn    4.846
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Fe2 Si O4'
_cod_database_code               9000735
The crystal structure of davidite
Gatehouse, B. M.; Grey, I. E.; Kelly, P. R.; American Mineralogist 64 (1979) 1010–1017; doi:

data_9000736
_publ_section_title
;
 The crystal structure of davidite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1010
_journal_page_last               1017
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source
'Pandora Prospect, Quijotoa Mts., Pima County, Arizona, USA'
_chemical_formula_sum
'Ca0.2 Cr0.21 Fe6.152 La0.91 Mg0.24 O38 Sr0.09 Ti12.672 U0.33 Y0.3'
_chemical_name_mineral           Davidite-(La)
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                68.73
_cell_angle_beta                 68.73
_cell_angle_gamma                68.73
_cell_length_a                   9.190
_cell_length_b                   9.190
_cell_length_c                   9.190
_cell_formula_units_Z            1
_cell_volume                     649.693
_database_code_amcsd             0000749
_exptl_crystal_density_diffrn    4.658
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum
'La.91 Ca.2 Sr.09 U.33 Y.3 Fe6.152 Mg.24 Ti12.672 Cr.21 O38'
_cod_database_code               9000736
Versiliaite and apuanite: Derivative structures related to schafarzikite
Mellini, M.; Merlino, S.; American Mineralogist 64 (1979) 1235–1242; doi:

data_9000737
_publ_section_title
;
 Versiliaite and apuanite: Derivative structures related to schafarzikite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1235
_journal_page_last               1242
_journal_volume                  64
_journal_year                    1979
_chemical_formula_sum            'As0.6 Fe5 O16 S0.8 Sb5.9 Zn0.5'
_chemical_name_mineral           Versiliaite
_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_formula_units_Z            2
_cell_length_a                   8.492
_cell_length_b                   8.326
_cell_length_c                   11.938
_cell_volume                     844.069
_database_code_amcsd             0000750
_exptl_crystal_density_diffrn    5.339
_cod_original_formula_sum        'Fe5 Sb5.9 Zn.5 As.6 S.8 O16'
_cod_database_code               9000737
Versliaite and apuanite: Derivative structures related to schafarzikite
Mellini, M.; Merlino, S.; American Mineralogist 64 (1979) 1235–1242; doi:

data_9000738
_publ_section_title
;
 Versliaite and apuanite: Derivative structures related to schafarzikite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1235
_journal_page_last               1242
_journal_volume                  64
_journal_year                    1979
_chemical_formula_sum            'As0.4 Fe4.56 O12 S0.84 Sb3.84 Zn0.2'
_chemical_name_mineral           Apuanite
_space_group_IT_number           135
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.372
_cell_length_b                   8.372
_cell_length_c                   17.974
_cell_volume                     1259.805
_database_code_amcsd             0000751
_exptl_crystal_density_diffrn    5.189
_cod_original_cell_volume        1259.804
_cod_original_formula_sum        'Fe4.56 Sb3.84 Zn.2 As.4 S.84 O12'
_cod_database_code               9000738
Senegalite, Al2(OH)3(H2O)(PO4), a novel structure type
Keegan, T. D.; Araki, T.; Moore, P. B.; American Mineralogist 64 (1979) 1243–1247; doi:

data_9000739
_publ_section_title
;
 Senegalite, Al2(OH)3(H2O)(PO4), a novel structure type
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1243
_journal_page_last               1247
_journal_volume                  64
_journal_year                    1979
_chemical_formula_sum            'Al2 H5 O8 P'
_chemical_name_mineral           Senegalite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2bc 2a'
_symmetry_space_group_name_H-M   'P 21 n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.675
_cell_length_b                   9.711
_cell_length_c                   7.635
_cell_volume                     569.051
_database_code_amcsd             0000752
_exptl_crystal_density_diffrn    2.544
_cod_original_formula_sum        'Al2 P O8 H5'
_cod_database_code               9000739
Krautite, Mn(H2O)(AsO3OH): crystal structure, hydrogen bonding and relations with haidingerite and pharmacolite
Catti, M.; Franchini-Angela M; American Mineralogist 64 (1979) 1248–1254; doi:

data_9000740
_publ_section_title
;
 Krautite, Mn(H2O)(AsO3OH): crystal structure, hydrogen bonding and relations
 with haidingerite and pharmacolite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1248
_journal_page_last               1254
_journal_volume                  64
_journal_year                    1979
_chemical_formula_sum            'As H2 Mn O5'
_chemical_name_mineral           Krautite
_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                 96.60
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.012
_cell_length_b                   15.956
_cell_length_c                   6.801
_cell_volume                     863.674
_database_code_amcsd             0000753
_exptl_crystal_density_diffrn    3.259
_cod_original_formula_sum        'Mn As O5 H2'
_cod_database_code               9000740
The crystal structure of nigerite-24R
Grey, I. E.; Gatehouse, B. M.; American Mineralogist 64 (1979) 1255–1264; doi:

data_9000741
_publ_section_title
;
 The crystal structure of nigerite-24R
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1255
_journal_page_last               1264
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        'Mt Garnet, northern Queensland, Australia'
_chemical_formula_sum            'Al7.45 Fe1.4 H O16 Sn Zn0.7'
_chemical_name_mineral           Ferronigerite-6N6S
_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                17.508
_cell_angle_beta                 17.508
_cell_angle_gamma                17.508
_cell_length_a                   18.826
_cell_length_b                   18.826
_cell_length_c                   18.826
_cell_formula_units_Z            2
_cell_volume                     527.034
_database_code_amcsd             0000754
_exptl_crystal_density_diffrn    4.415
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Al7.45 Sn Fe1.4 Zn.7 O16 H'
_cod_database_code               9000741
Structure and symmetry of CuS2 (pyrite structure)
King, H. E.; Prewitt, C. T.; American Mineralogist 64 (1979) 1265–1271; doi:

data_9000742
_publ_section_title
;
 Structure and symmetry of CuS2 (pyrite structure)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1265
_journal_page_last               1271
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu S2'
_chemical_name_mineral           Villamaninite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.7891
_cell_length_b                   5.7891
_cell_length_c                   5.7891
_cell_formula_units_Z            4
_cell_volume                     194.014
_database_code_amcsd             0000755
_exptl_crystal_density_diffrn    4.371
_cod_original_sg_symbol_H-M      'P a 3'
_cod_database_code               9000742
Crystal chemistry of a metamorphic biotite and its significance in water barometry from Au Sable Forks, New York
Bohlen, S. R.; Peacor, D. R.; Essene, E. J.; American Mineralogist 65 (1980) 55–62; doi:

data_9000743
_publ_section_title
;
 Crystal chemistry of a metamorphic biotite and its significance in water
 barometry
 from Au Sable Forks, New York
;
_journal_name_full               'American Mineralogist'
_journal_page_first              55
_journal_page_last               62
_journal_volume                  65
_journal_year                    1980
_chemical_formula_sum
'Al1.208 Fe1.392 K Mg1.161 O12 Si2.792 Ti0.276'
_chemical_name_mineral           Biotite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.978
_cell_angle_gamma                90
_cell_length_a                   5.357
_cell_length_b                   9.245
_cell_length_c                   20.234
_cell_formula_units_Z            4
_cell_volume                     998.318
_exptl_crystal_density_diffrn    3.069
_cod_original_formula_sum
'K Fe1.392 Mg1.161 Ti.276 (Si2.792 Al1.208) O12'
_cod_database_code               9000743
_cod_duplicate_entry 1524087
The average structure of An 62-66 labradorite
Wenk, H. R.; Joswig, W.; Tagai, T.; Korekawa, M.; Smith, B. K.; American Mineralogist 65 (1980) 81–95; doi:

data_9000744
_publ_section_title
;
 The average structure of An 62-66 labradorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              81
_journal_page_last               95
_journal_volume                  65
_journal_year                    1980
_chemical_compound_source        'Surtsey, Iceland'
_chemical_formula_sum            'Al0.81 Ca0.325 Na0.16 O4 Si1.19'
_chemical_name_mineral           Anorthite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_Hall  '-C 1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.462
_cell_angle_beta                 116.054
_cell_angle_gamma                90.475
_cell_formula_units_Z            8
_cell_length_a                   8.1736
_cell_length_b                   12.8736
_cell_length_c                   7.1022
_cell_volume                     669.647
_database_code_amcsd             0019662
_diffrn_radiation_probe          x-ray
_exptl_crystal_density_diffrn    2.698
_cod_original_sg_symbol_Hall     '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_cod_original_formula_sum        'Ca.325 Na.16 (Si1.19 Al.81) O4'
_cod_database_code               9000744
The average structure of An 62-66 labradorite
Wenk, H. R.; Joswig, W.; Tagai, T.; Korekawa, M.; Smith, B. K.; American Mineralogist 65 (1980) 81–95; doi:

data_9000745
_publ_section_title
;
 The average structure of An 62-66 labradorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              81
_journal_page_last               95
_journal_volume                  65
_journal_year                    1980
_chemical_compound_source        'Surtsey, Iceland'
_chemical_formula_sum            'Al0.81 Ca0.325 Na0.16 O4 Si1.19'
_chemical_name_mineral           Labradorite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_Hall  '-C 1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.462
_cell_angle_beta                 116.054
_cell_angle_gamma                90.475
_cell_formula_units_Z            8
_cell_length_a                   8.1736
_cell_length_b                   12.8736
_cell_length_c                   7.1022
_cell_volume                     669.647
_database_code_amcsd             0000758
_diffrn_radiation_probe          neutron
_exptl_crystal_density_diffrn    2.698
_cod_original_sg_symbol_Hall     '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_cod_original_formula_sum        'Ca.325 Na.16 (Si1.19 Al.81) O4'
_cod_database_code               9000745
The average structure of An 62-66 labradorite Lake County x-ray feldspar
Wenk, H. R.; Joswig, W.; Tagai, T.; Korekawa, M.; Smith, B. K.; American Mineralogist 65 (1980) 81–95; doi:

data_9000746
_publ_section_title
;
 The average structure of An 62-66 labradorite
 Lake County x-ray
 feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              81
_journal_page_last               95
_journal_volume                  65
_journal_year                    1980
_chemical_formula_sum            'Al0.824 Ca0.317 Na0.183 O4 Si1.174'
_chemical_name_mineral           Labradorite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.461
_cell_angle_beta                 116.086
_cell_angle_gamma                90.514
_cell_formula_units_Z            8
_cell_length_a                   8.1747
_cell_length_b                   12.8706
_cell_length_c                   7.1014
_cell_volume                     669.302
_exptl_crystal_density_diffrn    2.702
_cod_original_formula_sum        'Ca.317 Na.183 Si1.174 Al.824 O4'
_cod_database_code               9000746
_database_code_amcsd 0019664
The average structure of An 62-66 labradorite Lake County neutron feldspar
Wenk, H. R.; Joswig, W.; Tagai, T.; Korekawa, M.; Smith, B. K.; American Mineralogist 65 (1980) 81–95; doi:

data_9000747
_publ_section_title
;
 The average structure of An 62-66 labradorite
 Lake County neutron
 feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              81
_journal_page_last               95
_journal_volume                  65
_journal_year                    1980
_chemical_formula_sum            'Al0.824 Ca0.325 Na0.175 O4 Si1.174'
_chemical_name_mineral           Labradorite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.461
_cell_angle_beta                 116.086
_cell_angle_gamma                90.514
_cell_formula_units_Z            8
_cell_length_a                   8.1747
_cell_length_b                   12.8706
_cell_length_c                   7.1014
_cell_volume                     669.302
_exptl_crystal_density_diffrn    2.704
_cod_original_formula_sum        'Ca.325 Na.175 Si1.174 Al.824 O4'
_cod_database_code               9000747
_database_code_amcsd 0019665
The average structure of An 62-66 labradorite Verzasca x-ray feldspar
Wenk, H. R.; Joswig, W.; Tagai, T.; Korekawa, M.; Smith, B. K.; American Mineralogist 65 (1980) 81–95; doi:

data_9000748
_publ_section_title
;
 The average structure of An 62-66 labradorite
 Verzasca x-ray
 feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              81
_journal_page_last               95
_journal_volume                  65
_journal_year                    1980
_chemical_formula_sum            'Al0.814 Ca0.32 Na0.18 O4 Si1.184'
_chemical_name_mineral           Labradorite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.62
_cell_angle_beta                 116.21
_cell_angle_gamma                89.7
_cell_formula_units_Z            8
_cell_length_a                   8.151
_cell_length_b                   12.829
_cell_length_c                   7.103
_cell_volume                     664.843
_exptl_crystal_density_diffrn    2.721
_cod_original_formula_sum        'Ca.32 Na.18 Si1.184 Al.814 O4'
_cod_database_code               9000748
_database_code_amcsd 0019666
The average structure of An 62-66 labradorite Sissone x-ray feldspar
Wenk, H. R.; Joswig, W.; Tagai, T.; Korekawa, M.; Smith, B. K.; American Mineralogist 65 (1980) 81–95; doi:

data_9000749
_publ_section_title
;
 The average structure of An 62-66 labradorite
 Sissone x-ray
 feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              81
_journal_page_last               95
_journal_volume                  65
_journal_year                    1980
_chemical_formula_sum            'Al0.83 Ca0.34 Na0.15 O4 Si1.17'
_chemical_name_mineral           Labradorite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.49
_cell_angle_beta                 116.13
_cell_angle_gamma                90.4
_cell_formula_units_Z            8
_cell_length_a                   8.152
_cell_length_b                   12.834
_cell_length_c                   7.079
_cell_volume                     663.225
_exptl_crystal_density_diffrn    2.731
_cod_original_formula_sum        'Ca.34 Na.15 (Si1.17 Al.83) O4'
_cod_database_code               9000749
_database_code_amcsd 0019667
Structure variation in low cordierites sci 1542 mono
Wallace, J. H.; Wenk, H. R.; American Mineralogist 65 (1980) 96–111; doi:

data_9000750
_publ_section_title
;
 Structure variation in low cordierites
 sci 1542 mono
;
_journal_name_full               'American Mineralogist'
_journal_page_first              96
_journal_page_last               111
_journal_volume                  65
_journal_year                    1980
_chemical_compound_source        'Passo di Mello, Bergell Alps, Switzerland'
_chemical_formula_sum            'Al3.843 Fe0.136 H0.86 Mg1.8 O18.86 Si4.838'
_chemical_name_mineral           Cordierite
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.044
_cell_length_b                   9.716
_cell_length_c                   9.334
_cell_volume                     1545.706
_database_code_amcsd             0000763
_exptl_crystal_density_diffrn    2.550
_cod_original_formula_sum        'Mg1.8 Fe.136 Al3.843 Si4.838 O18.86 H.86'
_cod_database_code               9000750