LMucko/crystallography-open-database huggingface dataset:
The crystal structures of pyrophyllite, 1Tc, and of its dehydroxylate
Wardle, R.; Brindley, G. W.; American Mineralogist 57 (1972) 732–750; doi:

data_9000276
_publ_section_title
;
 The crystal structures of pyrophyllite, 1Tc, and of its dehydroxylate
;
_journal_name_full               'American Mineralogist'
_journal_page_first              732
_journal_page_last               750
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Al H O6 Si2'
_chemical_name_mineral           Pyrophyllite
_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                91.03
_cell_angle_beta                 100.37
_cell_angle_gamma                89.75
_cell_formula_units_Z            4
_cell_length_a                   5.1614
_cell_length_b                   8.9576
_cell_length_c                   9.3511
_cell_volume                     425.206
_database_code_amcsd             0000285
_exptl_crystal_density_diffrn    2.814
_cod_original_formula_sum        'Al Si2 O6 H'
_cod_database_code               9000276
The crystal structures of pyrophyllite, 1Tc, and of its dehydroxylate
Wardle, R.; Brindley, G. W.; American Mineralogist 57 (1972) 732–750; doi:

data_9000277
_publ_section_title
;
 The crystal structures of pyrophyllite, 1Tc, and of its dehydroxylate
;
_journal_name_full               'American Mineralogist'
_journal_page_first              732
_journal_page_last               750
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Al2 O11 Si4'
_chemical_name_mineral           Pyrophyllite-1Tc
_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                91.17
_cell_angle_beta                 100.21
_cell_angle_gamma                88.62
_cell_length_a                   5.1919
_cell_length_b                   9.1224
_cell_length_c                   9.4990
_cell_formula_units_Z            2
_cell_volume                     442.585
_database_code_amcsd             0000286
_exptl_crystal_density_diffrn    2.569
_cod_original_formula_sum        'Al2 Si4 O11'
_cod_database_code               9000277
The crystal structure of carletonite, KNa4Ca4Si8O18(CO3)4(F,OH).H2O, a double-sheet silicate
Chao, G. Y.; American Mineralogist 57 (1972) 765–778; doi:

data_9000278
_publ_section_title
;
 The crystal structure of carletonite, KNa4Ca4Si8O18(CO3)4(F,OH).H2O,
 a double-sheet silicate
;
_journal_name_full               'American Mineralogist'
_journal_page_first              765
_journal_page_last               778
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum
'C4 H4.59 Al0.112 Ca3.76 F0.41 K0.882 Na3.658 O31.373 Si7.748'
_chemical_name_mineral           Carletonite
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.178
_cell_length_b                   13.178
_cell_length_c                   16.695
_cell_volume                     2899.248
_database_code_amcsd             0000287
_exptl_crystal_density_diffrn    2.411
_cod_original_cell_volume        2899.249
_cod_original_formula_sum
'Si7.748 Al.112 Ca3.76 K.882 Na3.658 C4 O31.373 F.41 H4.59'
_cod_database_code               9000278
Crystal structure of a monoclinic pyrrhotite (Fe7S8)
Tokonami, M.; Nishiguchi, K.; Morimoto, N.; American Mineralogist 57 (1972) 1066–1080; doi:

data_9000279
_publ_section_title
;
 Crystal structure of a monoclinic pyrrhotite (Fe7S8)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1066
_journal_page_last               1080
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Fe7 S8'
_chemical_name_mineral           Pyrrhotite
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc (x+1/2*z,y,1/2*z)'
_space_group_name_H-M_alt        'F 1 2/d 1'
_symmetry_space_group_name_H-M   'F 1 2/d 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.43
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.902
_cell_length_b                   6.859
_cell_length_c                   22.787
_cell_volume                     1860.183
_database_code_amcsd             0000288
_exptl_crystal_density_diffrn    4.624
_cod_depositor_comments
;
 Updating space group information, adding the estimated Z number and marking
 entry as being related to the AMCSD entry 0000288.

 Antanas Vaitkus,
 2018-07-21
;
_cod_database_code               9000279
Crystal structures and mineral chemistry of double-salt hydrates: II. The crystal structure of mendozite, NaAl(SO4)2.11H2O
Fang, J. H.; Robinson, P. D.; American Mineralogist 57 (1972) 1081–1088; doi:

data_9000280
_publ_section_title
;
 Crystal structures and mineral chemistry of double-salt hydrates: II. The
 crystal structure of mendozite, NaAl(SO4)2.11H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1081
_journal_page_last               1088
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Al H22 Na O19 S2'
_chemical_name_mineral           Mendozite
_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                 92.47
_cell_angle_gamma                90
_cell_length_a                   21.75
_cell_length_b                   9.11
_cell_length_c                   8.30
_cell_formula_units_Z            4
_cell_volume                     1643.055
_exptl_crystal_density_diffrn    1.779
_cod_depositor_comments
;
    Marking Wat[123456] atoms as oxygens (via _atom_site_type_symbol tag)
    having two attached hydrogens.

    Andrius Merkys
    2014-07-30
;
_cod_original_formula_sum        'Na Al S2 O19 H22'
_cod_database_code               9000280
_database_code_amcsd 0000289
Aluminium-silicon distribution in zunyite
Louisnathan, S. J.; Gibbs, G. V.; American Mineralogist 57 (1972) 1089–1108; doi:

data_9000281
_publ_section_title
;
 Aluminium-silicon distribution in zunyite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1089
_journal_page_last               1108
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Al13 Cl F3.84 H14.16 O34.16 Si5'
_chemical_name_mineral           Zunyite
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.860
_cell_length_b                   13.860
_cell_length_c                   13.860
_cell_formula_units_Z            4
_cell_volume                     2662.500
_database_code_amcsd             0000290
_exptl_crystal_density_diffrn    2.895
_cod_original_formula_sum        'Si5 Al13 O34.16 H14.16 F3.84 Cl'
_cod_database_code               9000281
The crystal structure of kainite
Robinson, P. D.; Fang, J. H.; Ohya, Y.; American Mineralogist 57 (1972) 1325–1332; doi:

data_9000282
_publ_section_title
;
 The crystal structure of kainite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1325
_journal_page_last               1332
_journal_volume                  57
_journal_year                    1972
_chemical_compound_source        'Stassfurt, Germany'
_chemical_formula_sum            'Cl4 H22 K4 Mg4 O27 S4'
_chemical_name_mineral           Kainite
_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                 94.92
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.72
_cell_length_b                   16.23
_cell_length_c                   9.53
_cell_volume                     3038.891
_database_code_amcsd             0000291
_exptl_crystal_density_diffrn    2.137
_cod_original_formula_sum        'K4 S4 Mg4 Cl4 O27 H22'
_cod_database_code               9000282
Natrophilite, NaMn(PO4), has ordered cations
Moore, P. B.; American Mineralogist 57 (1972) 1333–1344; doi:

data_9000283
_publ_section_title
;
 Natrophilite, NaMn(PO4), has ordered cations
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1333
_journal_page_last               1344
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Fe0.07 Mn0.93 Na O4 P'
_chemical_name_mineral           Natrophilite
_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_length_a                   10.523
_cell_length_b                   4.987
_cell_length_c                   6.312
_cell_formula_units_Z            4
_cell_volume                     331.242
_database_code_amcsd             0000292
_exptl_crystal_density_diffrn    3.468
_cod_original_formula_sum        'Na (Mn.93 Fe.07) P O4'
_cod_database_code               9000283
Redetermination of the crystal structure of eudidymite and its dimorphic relationship to epididymite
Fang, J. H.; Robinson, P. D.; Ohya, Y.; American Mineralogist 57 (1972) 1345–1354; doi:

data_9000284
_publ_section_title
;
 Redetermination of the crystal structure of eudidymite and its dimorphic
 relationship to epididymite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1345
_journal_page_last               1354
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Be H Na O8 Si3'
_chemical_name_mineral           Eudidymite
_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                 103.72
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.63
_cell_length_b                   7.38
_cell_length_c                   14.02
_cell_volume                     1269.508
_exptl_crystal_density_diffrn    2.566
_cod_original_formula_sum        'Na Be Si3 O8 H'
_cod_database_code               9000284
_database_code_amcsd 0000293
Atomic arrangement of merwinite, Ca3Mg[SiO4]2, an unusual dense-packed structure of geophysical interest
Moore, P. B.; Araki, T.; American Mineralogist 57 (1972) 1355–1374; doi:

data_9000285
_publ_section_title
;
 Atomic arrangement of merwinite, Ca3Mg[SiO4]2, an unusual dense-packed
 structure of geophysical interest
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1355
_journal_page_last               1374
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Ca3 Mg O8 Si2'
_chemical_name_mineral           Merwinite
_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                 91.90
_cell_angle_gamma                90
_cell_length_a                   13.254
_cell_length_b                   5.293
_cell_length_c                   9.328
_cell_formula_units_Z            4
_cell_volume                     654.031
_database_code_amcsd             0000294
_exptl_crystal_density_diffrn    3.338
_cod_original_formula_sum        'Ca3 Mg Si2 O8'
_cod_database_code               9000285
The crystal structure of yavapaiite: A discussion
Anthony, J. W.; McLean, W. J.; Laughon, R. B.; American Mineralogist 57 (1972) 1546–1549; doi:

data_9000286
_publ_section_title
;
 The crystal structure of yavapaiite: A discussion
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1546
_journal_page_last               1549
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Fe K O8 S2'
_chemical_name_mineral           Yavapaiite
_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                 94.87
_cell_angle_gamma                90
_cell_length_a                   8.150
_cell_length_b                   5.162
_cell_length_c                   7.855
_cell_formula_units_Z            2
_cell_volume                     329.269
_database_code_amcsd             0000295
_exptl_crystal_density_diffrn    2.895
_cod_original_formula_sum        'Fe K S2 O8'
_cod_database_code               9000286
Refinement of the crystal structure of a volcanic nepheline
Simmons, W. B.; Peacor, D. R.; American Mineralogist 57 (1972) 1711–1719; doi:

data_9000287
_publ_section_title
;
 Refinement of the crystal structure of a volcanic nepheline
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1711
_journal_page_last               1719
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Al3.6 K Na3 O15.999 Si4.4'
_chemical_name_mineral           Nepheline
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.003
_cell_length_b                   10.003
_cell_length_c                   8.381
_cell_formula_units_Z            2
_cell_volume                     726.251
_database_code_amcsd             0000296
_exptl_crystal_density_diffrn    2.674
_cod_original_formula_sum        'Na3 K (Al3.6 Si4.4) O15.999'
_cod_database_code               9000287
Crystal structure of a rubidium iron feldspar
Brunton, G. D.; Harris, L. A.; Kopp, O. C.; American Mineralogist 57 (1972) 1720–1728; doi:

data_9000288
_publ_section_title
;
 Crystal structure of a rubidium iron feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1720
_journal_page_last               1728
_journal_volume                  57
_journal_year                    1972
_chemical_formula_structural     'Rb Fe (Si3 O8)'
_chemical_formula_sum            'Fe1.088 O8 Rb Si2.912'
_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                90.05
_cell_angle_beta                 116.47
_cell_angle_gamma                89.35
_cell_formula_units_Z            4
_cell_length_a                   8.952
_cell_length_b                   13.127
_cell_length_c                   7.359
_cell_volume                     774.063
_database_code_amcsd             0000297
_exptl_crystal_density_diffrn    3.055
_cod_original_formula_sum        'Rb (Si2.912 Fe1.088) O8'
_cod_database_code               9000288
_amcsd_formula_title             RbFeSi3O8
The crystal structure of tilasite
Bladh, K. W.; Corbett, R. K.; McLean, W. J.; Laughon, R. B.; American Mineralogist 57 (1972) 1880–1884; doi:

data_9000289
_publ_section_title
;
 The crystal structure of tilasite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1880
_journal_page_last               1884
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'As Ca F Mg O4'
_chemical_name_mineral           Tilasite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 121.17
_cell_angle_gamma                90
_cell_length_a                   6.688
_cell_length_b                   8.944
_cell_length_c                   7.570
_cell_formula_units_Z            4
_cell_volume                     387.447
_database_code_amcsd             0000298
_exptl_crystal_density_diffrn    3.811
_cod_original_formula_sum        'As Ca Mg O4 F'
_cod_database_code               9000289
Electron population analysis of accurate diffraction data. V. Structure and one-center charge refinement of the light-atom mineral kernite, Na2B4O6(OH)2.3H2O high order refinement
Cooper, W. F.; Larsen, F. K.; Coppens, P.; Giese, R. F.; American Mineralogist 58 (1973) 21–31; doi:

data_9000290
_publ_section_title
;
 Electron population analysis of accurate diffraction data. V. Structure and
 one-center charge refinement of the light-atom mineral kernite,
 Na2B4O6(OH)2.3H2O
 high order refinement
;
_journal_name_full               'American Mineralogist'
_journal_page_first              21
_journal_page_last               31
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'B4 Na2 O11'
_chemical_name_mineral           Kernite
_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                 108.861
_cell_angle_gamma                90
_cell_length_a                   7.0172
_cell_length_b                   9.1582
_cell_length_c                   15.6774
_cell_formula_units_Z            4
_cell_volume                     953.409
_database_code_amcsd             0000299
_exptl_crystal_density_diffrn    1.848
_cod_original_formula_sum        'Na2 B4 O11'
_cod_database_code               9000290
Electron population analysis of accurate diffraction data. V. Structure and one-center charge refinement of the light-atom mineral kernite, Na2B4O6(OH)2.3H2O Extended L-Shell refinement
Cooper, W. F.; Larsen, F. K.; Coppens, P.; Giese, R. F.; American Mineralogist 58 (1973) 21–31; doi:

data_9000291
_publ_section_title
;
 Electron population analysis of accurate diffraction data. V. Structure and
 one-center charge refinement of the light-atom mineral kernite,
 Na2B4O6(OH)2.3H2O
 Extended L-Shell refinement
;
_journal_name_full               'American Mineralogist'
_journal_page_first              21
_journal_page_last               31
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'B4 H8 Na2 O11'
_chemical_name_mineral           Kernite
_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                 108.861
_cell_angle_gamma                90
_cell_length_a                   7.0172
_cell_length_b                   9.1582
_cell_length_c                   15.6774
_cell_formula_units_Z            4
_cell_volume                     953.409
_database_code_amcsd             0000300
_exptl_crystal_density_diffrn    1.904
_cod_original_formula_sum        'Na2 B4 O11 H8'
_cod_database_code               9000291
The crystal structures of the humite minerals. IV. Clinohumite and titanclinohumite
Robinson, K.; Gibbs, G. V.; Ribbe, P. H.; American Mineralogist 58 (1973) 43–49; doi:

data_9000292
_publ_section_title
;
 The crystal structures of the humite minerals. IV. Clinohumite and
 titanclinohumite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              43
_journal_page_last               49
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Fe0.58 H2 Mg8.42 O18 Si4'
_chemical_name_mineral           Hydroxylclinohumite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                100.786
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.7441
_cell_length_b                   10.2501
_cell_length_c                   13.6635
_cell_volume                     652.684
_database_code_amcsd             0000301
_exptl_crystal_density_diffrn    3.253
_cod_original_cell_volume        652.683
_cod_original_formula_sum        'Mg8.42 Fe.58 Si4 O18 H2'
_cod_database_code               9000292
The crystal structures of the humite minerals. IV. Clinohumite and titanoclinohumite
Robinson, K.; Gibbs, G. V.; Ribbe, P. H.; American Mineralogist 58 (1973) 43–49; doi:

data_9000293
_publ_section_title
;
 The crystal structures of the humite minerals. IV. Clinohumite and
 titanoclinohumite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              43
_journal_page_last               49
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Fe1.09 H2 Mg7.44 O18 Si4 Ti0.47'
_chemical_name_mineral           Hydroxylclinohumite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                101.00
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.7451
_cell_length_b                   10.288
_cell_length_c                   13.709
_cell_volume                     656.944
_database_code_amcsd             0000302
_exptl_crystal_density_diffrn    3.370
_cod_original_cell_volume        656.945
_cod_original_formula_sum        '(Mg7.44 Fe1.09 Ti.47) Si4 O18 H2'
_cod_database_code               9000293
The crystal structure of elpidite
Cannillo, E.; Rossi, G.; Ungaretti, L.; American Mineralogist 58 (1973) 106–109; doi:

data_9000294
_publ_section_title
;
 The crystal structure of elpidite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              106
_journal_page_last               109
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'H6 Na2 O18 Si6 Zr'
_chemical_name_mineral           Elpidite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.14
_cell_length_b                   14.68
_cell_length_c                   14.65
_cell_volume                     1535.543
_database_code_amcsd             0000303
_exptl_crystal_density_diffrn    2.594
_cod_original_formula_sum        'Zr Si6 Na2 O18 H6'
_cod_database_code               9000294