LMucko/crystallography-open-database huggingface dataset:
The crystal structure of kombatite, Pb14(VO4)2O9Cl4, a complex heteropolyhedral sheet mineral
Cooper, M. A.; Hawthorne, F. C.; American Mineralogist 79 (1994) 550–554; doi:

data_9001609
_publ_section_title
;The crystal structure of kombatite, Pb14(VO4)2O9Cl4, a complex
 heteropolyhedral sheet mineral
;
_journal_name_full               'American Mineralogist'
_journal_page_first              550
_journal_page_last               554
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'Cl4 O17 Pb14 V2'
_chemical_name_mineral           Kombatite
_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                 118.11
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.682
_cell_length_b                   22.566
_cell_length_c                   11.279
_cell_volume                     2847.105
_database_code_amcsd             0001661
_exptl_crystal_density_diffrn    7.970
_cod_original_formula_sum        'Pb14 V2 Cl4 O17'
_cod_database_code               9001609
Tuzlaite, NaCa[B5O8(OH)2].3H2O, a new mineral with a pentaborate sheet structure from the Tuzla salt mine, Bosnia and Hercegovina
Bermanec, V.; Armbruster, T.; Tibljas, D.; Sturman, D.; Kniewald, G.; American Mineralogist 79 (1994) 562–569; doi:

data_9001610
_publ_section_title
;
 Tuzlaite, NaCa[B5O8(OH)2].3H2O, a new mineral with a pentaborate sheet
 structure from the Tuzla salt mine, Bosnia and Hercegovina
;
_journal_name_full               'American Mineralogist'
_journal_page_first              562
_journal_page_last               569
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'B5 Ca H8 Na O13'
_chemical_name_mineral           Tuzlaite
_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                 92.97
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.506
_cell_length_b                   13.280
_cell_length_c                   11.462
_cell_volume                     988.983
_database_code_amcsd             0001662
_exptl_crystal_density_diffrn    2.238
_cod_original_formula_sum        'Ca Na O13 B5 H8'
_cod_database_code               9001610
Crystal chemistry of Ca-bearing majorite
Hazen, R. M.; Downs, R. T.; Finger, L. W.; Conrad, P. G.; Gasparik, T.; American Mineralogist 79 (1994) 581–584; doi:

data_9001611
_publ_section_title
;
 Crystal chemistry of Ca-bearing majorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              581
_journal_page_last               584
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'Ca0.489 Mg3.511 O12 Si4'
_chemical_name_mineral           Majorite
_symmetry_space_group_name_H-M   'I 41/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.5816
_cell_length_b                   11.5816
_cell_length_c                   11.5288
_cell_volume                     1546.398
_exptl_crystal_density_diffrn    3.516
_cod_original_formula_sum        'Mg3.511 Ca.489 Si4 O12'
_cod_database_code               9001611
High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive diffraction study using monochromatic synchrotron X-radiation P = room pressure
Zhao, Y. S.; Parise, J. B.; Wang, Y.; Kusaba, K.; Vaughan, M. T.; Weidner, D. J.; Kikegawa, T.; Chen, J.; Shimomura, O.; American Mineralogist 79 (1994) 615–621; doi:

data_9001612
_publ_section_title
;
 High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive
 diffraction study using monochromatic synchrotron X-radiation
 P = room pressure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              615
_journal_page_last               621
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_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                   5.3603
_cell_length_b                   5.4884
_cell_length_c                   7.666
_cell_formula_units_Z            4
_cell_volume                     225.530
_database_code_amcsd             0001664
_exptl_crystal_density_diffrn    3.071
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9001612
High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive diffraction study using monochromatic synchrotron X-radiation P = 4.9 GPa
Zhao, Y. S.; Parise, J. B.; Wang, Y.; Kusaba, K.; Vaughan, M. T.; Weidner, D. J.; Kikegawa, T.; Chen, J.; Shimomura, O.; American Mineralogist 79 (1994) 615–621; doi:

data_9001613
_publ_section_title
;
 High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive
 diffraction study using monochromatic synchrotron X-radiation
 P = 4.9 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              615
_journal_page_last               621
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_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                   5.2386
_cell_length_b                   5.3796
_cell_length_c                   7.5052
_cell_formula_units_Z            4
_cell_volume                     211.508
_database_code_amcsd             0001665
_diffrn_ambient_pressure         4.9e+06
_exptl_crystal_density_diffrn    3.275
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9001613
High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive diffraction study using monochromatic synchrotron X-radiation P = room pressure following decompression
Zhao, Y. S.; Parise, J. B.; Wang, Y.; Kusaba, K.; Vaughan, M. T.; Weidner, D. J.; Kikegawa, T.; Chen, J.; Shimomura, O.; American Mineralogist 79 (1994) 615–621; doi:

data_9001614
_publ_section_title
;
 High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive
 diffraction study using monochromatic synchrotron X-radiation
 P = room pressure following decompression
;
_journal_name_full               'American Mineralogist'
_journal_page_first              615
_journal_page_last               621
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_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                   5.3609
_cell_length_b                   5.4828
_cell_length_c                   7.667
_cell_formula_units_Z            4
_cell_volume                     225.354
_database_code_amcsd             0001666
_exptl_crystal_density_diffrn    3.074
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9001614
Low-Ca augite from experimental alkali basalt at 18 kbar: Structural variation near the miscibility gap Atomic parameters from ICSD
Bertolo, S.; Nimis, P.; Dal Negro, A.; American Mineralogist 79 (1994) 668–674; doi:

data_9001615
_publ_section_title
;Low-Ca augite from experimental alkali basalt at 18 kbar: Structural
 variation near the miscibility gap Atomic parameters from ICSD
;
_journal_name_full               'American Mineralogist'
_journal_page_first              668
_journal_page_last               674
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'Ca0.774 Fe0.11 Mg0.901 Na0.226 O6 Si2'
_chemical_name_mineral           Aegirine-augite
_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                 107.60
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.689
_cell_length_b                   8.824
_cell_length_c                   5.280
_cell_volume                     430.287
_database_code_amcsd             0001667
_exptl_crystal_density_diffrn    3.341
_cod_original_formula_sum        '(Ca.774 Na.226) Mg.901 Fe.11 Si2 O6'
_cod_database_code               9001615
Crystal structure and optical properties of Na- and Pb-exchanged heulandite-group zeolites Sample: nonexchanged Atomic parameters from ICSD
Gunter, M. E.; Armbruster, T.; Kohler, T.; Knowles, C. R.; American Mineralogist 79 (1994) 675–682; doi:

data_9001616
_publ_section_title
;
 Crystal structure and optical properties of Na- and Pb-exchanged
 heulandite-group zeolites
 Sample: nonexchanged
 Atomic parameters from ICSD
;
_journal_name_full               'American Mineralogist'
_journal_page_first              675
_journal_page_last               682
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum
'Al4.446 Ca1.848 H12.38 K0.06 Na0.65 O48.38 Si13.554'
_chemical_name_mineral           Heulandite-Ca
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.39
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.671
_cell_length_b                   17.875
_cell_length_c                   7.412
_cell_volume                     2097.242
_database_code_amcsd             0001668
_exptl_crystal_density_diffrn    2.183
_cod_original_formula_sum
'Na.65 Ca1.848 K.06 (Si13.554 Al4.446) O48.38 H12.38'
_cod_database_code               9001616
Crystal structure and optical properties of Na- and Pb-exchanged heulandite-group zeolites Sample: Na-exchanged Atomic parameters from ICSD
Gunter, M. E.; Armbruster, T.; Kohler, T.; Knowles, C. R.; American Mineralogist 79 (1994) 675–682; doi:

data_9001617
_publ_section_title
;
 Crystal structure and optical properties of Na- and Pb-exchanged
 heulandite-group zeolites
 Sample: Na-exchanged
 Atomic parameters from ICSD
;
_journal_name_full               'American Mineralogist'
_journal_page_first              675
_journal_page_last               682
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'Al4.446 H10.96 Na3.6 O48.96 Si13.554'
_chemical_name_mineral           Heulandite-Na
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.14
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.767
_cell_length_b                   17.977
_cell_length_c                   7.422
_cell_volume                     2128.106
_database_code_amcsd             0001669
_exptl_crystal_density_diffrn    2.150
_cod_original_formula_sum        'Na3.6 (Si13.554 Al4.446) O48.96 H10.96'
_cod_database_code               9001617
Crystal structure and optical properties of Na- and Pb-exchanged heulandite-group zeolites Sample: Pb-exchanged Atomic parameters from ICSD
Gunter, M. E.; Armbruster, T.; Kohler, T.; Knowles, C. R.; American Mineralogist 79 (1994) 675–682; doi:

data_9001618
_publ_section_title
;
 Crystal structure and optical properties of Na- and Pb-exchanged
 heulandite-group zeolites
 Sample: Pb-exchanged
 Atomic parameters from ICSD
;
_journal_name_full               'American Mineralogist'
_journal_page_first              675
_journal_page_last               682
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'Al4.446 O44.08 Pb2 Si13.554'
_chemical_name_mineral           Heulandite
_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                 116.33
_cell_angle_gamma                90
_cell_length_a                   17.767
_cell_length_b                   17.917
_cell_length_c                   7.432
_cell_formula_units_Z            2
_cell_volume                     2120.393
_database_code_amcsd             0001670
_exptl_crystal_density_diffrn    2.538
_cod_original_formula_sum        '(Si13.554 Al4.446) O44.08 Pb2'
_cod_database_code               9001618
New occurrences and refined crystal chemistry of colusite, with comparisons to arsenosulvanite Sample: Sn-rich, crystal 2
Spry, P. G.; Merlino, S.; Wang, S.; Zhang, X.; Buseck, P. R.; American Mineralogist 79 (1994) 750–762; doi:

data_9001619
_publ_section_title
;New occurrences and refined crystal chemistry of colusite, with comparisons
 to arsenosulvanite Sample: Sn-rich, crystal 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              750
_journal_page_last               762
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'As1.92 Cu13 S16 Sn1.08 V'
_chemical_name_mineral           Colusite
_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                   10.621
_cell_length_b                   10.621
_cell_length_c                   10.621
_cell_formula_units_Z            2
_cell_volume                     1198.109
_database_code_amcsd             0001671
_exptl_crystal_density_diffrn    4.607
_cod_original_formula_sum        'V Cu13 (As1.92 Sn1.08) S16'
_cod_database_code               9001619
New occurrences and refined crystal chemistry of colusite, with comparisons to arsenosulvanite Sample: Sn-poor, crystal 1
Spry, P. G.; Merlino, S.; Wang, S.; Zhang, X.; Buseck, P. R.; American Mineralogist 79 (1994) 750–762; doi:

data_9001620
_publ_section_title
;New occurrences and refined crystal chemistry of colusite, with comparisons
 to arsenosulvanite Sample: Sn-poor, crystal 1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              750
_journal_page_last               762
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'As3 Cu11.94 S16 V'
_chemical_name_mineral           Arsenosulvanite
_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                   10.538
_cell_length_b                   10.538
_cell_length_c                   10.538
_cell_formula_units_Z            2
_cell_volume                     1170.239
_database_code_amcsd             0001672
_exptl_crystal_density_diffrn    4.392
_cod_original_formula_sum        'V Cu11.94 As3 S16'
_cod_database_code               9001620
Crystal structure of Al-rich mullite
Fischer, R. X.; Schneider, H.; Schmucker, M.; American Mineralogist 79 (1994) 983–990; doi:

data_9001621
_publ_section_title
;
 Crystal structure of Al-rich mullite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              983
_journal_page_last               990
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'Al2.826 O4.588 Si0.174'
_chemical_name_mineral           Mullite
_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                   7.7391
_cell_length_b                   7.6108
_cell_length_c                   2.9180
_cell_volume                     171.872
_database_code_amcsd             0001673
_exptl_crystal_density_diffrn    2.986
_cod_original_formula_sum        'Al2.826 Si.174 O4.588'
_cod_database_code               9001621
Johninnesite: Crystal-structure determination and its relationship to other arsenosilicates
Grice, J. D.; Dunn, P. J.; American Mineralogist 79 (1994) 991–995; doi:

data_9001622
_publ_section_title
;
 Johninnesite: Crystal-structure determination and its relationship to other
 arsenosilicates
;
_journal_name_full               'American Mineralogist'
_journal_page_first              991
_journal_page_last               995
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'As2 H8 Mg5 Mn11 Na2 O50 Si12'
_chemical_name_mineral           Johninnesite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.11
_cell_angle_beta                 81.17
_cell_angle_gamma                111.86
_cell_formula_units_Z            1
_cell_length_a                   10.485
_cell_length_b                   11.065
_cell_length_c                   9.654
_cell_volume                     992.263
_database_code_amcsd             0001674
_exptl_crystal_density_diffrn    3.459
_cod_original_formula_sum        'Na2 Mn11 Mg5 As2 Si12 O50 H8'
_cod_database_code               9001622
Fetiasite (Fe2+,Fe3+,Ti)3O2[As2O5], a new arsenite mineral: Its description and structure determination Note: Sample B
Graeser, S.; Schwander, H.; Demartin, F.; Gramaccioli, C. M.; Pilati, T.; Reusser, E.; American Mineralogist 79 (1994) 996–1002; doi:

data_9001623
_publ_section_title
;
 Fetiasite (Fe2+,Fe3+,Ti)3O2[As2O5], a new arsenite mineral: Its description
 and structure determination
 Note: Sample B
;
_journal_name_full               'American Mineralogist'
_journal_page_first              996
_journal_page_last               1002
_journal_volume                  79
_journal_year                    1994
_chemical_compound_source        'Lengenbach quarry, Binnatal, Switzerland'
_chemical_formula_sum            'As2 Fe2.38 O7 Ti0.58'
_chemical_name_mineral           Fetiasite
_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                 108.89
_cell_angle_gamma                90
_cell_length_a                   10.616
_cell_length_b                   3.242
_cell_length_c                   8.932
_cell_formula_units_Z            2
_cell_volume                     290.857
_database_code_amcsd             0001675
_exptl_crystal_density_diffrn    4.825
_cod_original_formula_sum        'As2 Fe2.38 Ti.58 O7'
_cod_database_code               9001623
Fetiasite (Fe2+,Fe3+,Ti)3O2[As2O5], a new arsenite mineral: Its description and structure determination Note: Sample A
Graeser, S.; Schwander, H.; Demartin, F.; Gramaccioli, C. M.; Pilati, T.; Reusser, E.; American Mineralogist 79 (1994) 996–1002; doi:

data_9001624
_publ_section_title
;
 Fetiasite (Fe2+,Fe3+,Ti)3O2[As2O5], a new arsenite mineral: Its description
 and structure determination
 Note: Sample A
;
_journal_name_full               'American Mineralogist'
_journal_page_first              996
_journal_page_last               1002
_journal_volume                  79
_journal_year                    1994
_chemical_compound_source        Cervandone
_chemical_formula_sum            'As2 Fe2.38 O7 Ti0.54'
_chemical_name_mineral           Fetiasite
_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                 108.95
_cell_angle_gamma                90
_cell_length_a                   10.614
_cell_length_b                   3.252
_cell_length_c                   8.945
_cell_formula_units_Z            2
_cell_volume                     292.018
_database_code_amcsd             0001676
_exptl_crystal_density_diffrn    4.784
_cod_original_formula_sum        'As2 Fe2.38 Ti.54 O7'
_cod_database_code               9001624
Mineralogical studies of the nitrate deposits of Chile: VII. Two saline minerals with the composition K6(Na,K)4Na6Mg10(XO4)12(IO3)12.12H2O: Fuenzalidaite (X=S) and carloruizite (X=Se)
Konnert, J. A.; Evans, H. T.; McGee, J. J.; Ericksen, G. E.; American Mineralogist 79 (1994) 1003–1008; doi:

data_9001625
_publ_section_title
;
 Mineralogical studies of the nitrate deposits of Chile: VII. Two saline
 minerals with the composition K6(Na,K)4Na6Mg10(XO4)12(IO3)12.12H2O:
 Fuenzalidaite (X=S) and carloruizite (X=Se)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1003
_journal_page_last               1008
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'H12 I6 K3.56 Mg5 Na4.44 O48 S6'
_chemical_name_mineral           Fuenzalidaite
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.4643
_cell_length_b                   9.4643
_cell_length_c                   27.336
_cell_volume                     2120.521
_database_code_amcsd             0001677
_exptl_crystal_density_diffrn    3.284
_cod_original_formula_sum        'I6 O48 S6 K3.56 Na4.44 Mg5 H12'
_cod_database_code               9001625
Mineralogical studies of the nitrate deposits of Chile: VII. Two saline minerals with the composition K6(Na,K)4Na6Mg10(XO4)12(IO3)12.12H2O: Fuenzalidaite (X=S) and carlosruizite (X=Se)
Konnert, J. A.; Evans, H. T.; McGee, J. J.; Ericksen, G. E.; American Mineralogist 79 (1994) 1003–1008; doi:

data_9001626
_publ_section_title
;
 Mineralogical studies of the nitrate deposits of Chile: VII. Two saline
 minerals with the composition K6(Na,K)4Na6Mg10(XO4)12(IO3)12.12H2O:
 Fuenzalidaite (X=S) and carlosruizite (X=Se)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1003
_journal_page_last               1008
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'H12 I6 K3.64 Mg5 Na4.36 O48 Se6'
_chemical_name_mineral           Carlosruizite
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.5901
_cell_length_b                   9.5901
_cell_length_c                   27.56
_cell_volume                     2195.109
_database_code_amcsd             0001678
_exptl_crystal_density_diffrn    3.600
_cod_original_formula_sum        'I6 O48 Se6 K3.64 Na4.36 Mg5 H12'
_cod_database_code               9001626