LMucko/crystallography-open-database huggingface dataset:
The thermal expansion of diopside to 800 C and a refinement of the crystal structure at 700 C T = 700 C
Finger, L. W.; Ohashi, Y.; American Mineralogist 61 (1976) 303–310; doi:

data_9000506
_publ_section_title
;
 The thermal expansion of diopside to 800 C and a refinement of the crystal
 structure at 700 C
 T = 700 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              303
_journal_page_last               310
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Diopside
_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                 105.98
_cell_angle_gamma                90
_cell_length_a                   9.804
_cell_length_b                   9.030
_cell_length_c                   5.275
_cell_formula_units_Z            4
_cell_volume                     448.951
_database_code_amcsd             0000517
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    3.204
_cod_original_formula_sum        'Ca Mg Si2 O6'
_cod_database_code               9000506
Alunogen, Al2(H2O)12(SO4)3.5H2O: Its atomic arrangement and water content
Fang, J. H.; Robinson, P. D.; American Mineralogist 61 (1976) 311–317; doi:

data_9000507
_publ_section_title
;
 Alunogen, Al2(H2O)12(SO4)3.5H2O: Its atomic arrangement and water content
;
_journal_name_full               'American Mineralogist'
_journal_page_first              311
_journal_page_last               317
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Al2 H34 O29 S3'
_chemical_name_mineral           Alunogen
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.67
_cell_angle_beta                 97.34
_cell_angle_gamma                91.53
_cell_formula_units_Z            2
_cell_length_a                   7.420
_cell_length_b                   26.970
_cell_length_c                   6.062
_cell_volume                     1202.739
_exptl_crystal_density_diffrn    1.790
_cod_depositor_comments
;

2017-09-05
Z value inserted to be consistent with given formula
Water oxygen renamed so they are recognized as oxygen
                 miguel
;
_cod_original_cell_volume        1202.738
_cod_original_formula_sum        'S3 Al2 O29 H34'
_cod_database_code               9000507
Refinement of the crystal structure of celsian
Griffen, D. T.; Ribbe, P. H.; American Mineralogist 61 (1976) 414–418; doi:

data_9000508
_publ_section_title
;
 Refinement of the crystal structure of celsian
;
_journal_name_full               'American Mineralogist'
_journal_page_first              414
_journal_page_last               418
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Al2 Ba O8 Si2'
_chemical_name_mineral           Celsian
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.1
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.622
_cell_length_b                   13.078
_cell_length_c                   14.411
_cell_volume                     1471.516
_database_code_amcsd             0000519
_exptl_crystal_density_diffrn    3.389
_cod_original_formula_sum        'Ba (Al2 Si2) O8'
_cod_database_code               9000508
High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 25 deg C
Taylor, M.; Brown, G. E.; American Mineralogist 61 (1976) 435–447; doi:

data_9000509
_publ_section_title
;
 High-temperature structural study of the P2_1/a - A2/a phase transition in
 synthetic titanite, CaTiSiO5
 T = 25 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              435
_journal_page_last               447
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Ca O5 Si Ti'
_chemical_name_mineral           Titanite
_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                 113.82
_cell_angle_gamma                90
_cell_length_a                   7.068
_cell_length_b                   8.714
_cell_length_c                   6.562
_cell_formula_units_Z            4
_cell_volume                     369.731
_database_code_amcsd             0000520
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.522
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9000509
High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 165 deg C
Taylor, M.; Brown, G. E.; American Mineralogist 61 (1976) 435–447; doi:

data_9000510
_publ_section_title
;
 High-temperature structural study of the P2_1/a - A2/a phase transition in
 synthetic titanite, CaTiSiO5
 T = 165 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              435
_journal_page_last               447
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Ca O5 Si Ti'
_chemical_name_mineral           Titanite
_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                 113.77
_cell_angle_gamma                90
_cell_length_a                   7.067
_cell_length_b                   8.726
_cell_length_c                   6.568
_cell_formula_units_Z            4
_cell_volume                     370.668
_database_code_amcsd             0000521
_diffrn_ambient_temperature      438.15
_exptl_crystal_density_diffrn    3.513
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9000510
High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 270 deg C
Taylor, M.; Brown, G. E.; American Mineralogist 61 (1976) 435–447; doi:

data_9000511
_publ_section_title
;
 High-temperature structural study of the P2_1/a - A2/a phase transition in
 synthetic titanite, CaTiSiO5
 T = 270 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              435
_journal_page_last               447
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Ca O5 Si Ti'
_chemical_name_mineral           Titanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2yab'
_symmetry_space_group_name_H-M   'A 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.7
_cell_angle_gamma                90
_cell_length_a                   7.060
_cell_length_b                   8.737
_cell_length_c                   6.565
_cell_formula_units_Z            4
_cell_volume                     370.798
_database_code_amcsd             0000522
_diffrn_ambient_temperature      543.15
_exptl_crystal_density_diffrn    3.512
_cod_original_sg_symbol_H-M      'A 1 2/a 1'
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9000511
High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 515 deg C
Taylor, M.; Brown, G. E.; American Mineralogist 61 (1976) 435–447; doi:

data_9000512
_publ_section_title
;
 High-temperature structural study of the P2_1/a - A2/a phase transition in
 synthetic titanite, CaTiSiO5
 T = 515 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              435
_journal_page_last               447
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Ca O5 Si Ti'
_chemical_name_mineral           Titanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2yab'
_symmetry_space_group_name_H-M   'A 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.68
_cell_angle_gamma                90
_cell_length_a                   7.077
_cell_length_b                   8.743
_cell_length_c                   6.584
_cell_formula_units_Z            4
_cell_volume                     373.080
_database_code_amcsd             0000523
_diffrn_ambient_temperature      788.15
_exptl_crystal_density_diffrn    3.490
_cod_original_sg_symbol_H-M      'A 1 2/a 1'
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9000512
High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 740 deg C
Taylor, M.; Brown, G. E.; American Mineralogist 61 (1976) 435–447; doi:

data_9000513
_publ_section_title
;
 High-temperature structural study of the P2_1/a - A2/a phase transition in
 synthetic titanite, CaTiSiO5
 T = 740 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              435
_journal_page_last               447
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Ca O5 Si Ti'
_chemical_name_mineral           Titanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2yab'
_symmetry_space_group_name_H-M   'A 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.55
_cell_angle_gamma                90
_cell_length_a                   7.083
_cell_length_b                   8.753
_cell_length_c                   6.596
_cell_formula_units_Z            4
_cell_volume                     374.876
_database_code_amcsd             0000524
_diffrn_ambient_temperature      1013.15
_exptl_crystal_density_diffrn    3.473
_cod_original_sg_symbol_H-M      'A 1 2/a 1'
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9000513
The crystal structure of vuagnatite, CaAl(OH)SiO4
McNear, E.; Vincent, M. G.; Parthe, E.; American Mineralogist 61 (1976) 831–838; doi:

data_9000514
_publ_section_title
;
 The crystal structure of vuagnatite, CaAl(OH)SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              831
_journal_page_last               838
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Al Ca H O5 Si'
_chemical_name_mineral           Vuagnatite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.055
_cell_length_b                   8.542
_cell_length_c                   5.683
_cell_formula_units_Z            4
_cell_volume                     342.479
_database_code_amcsd             0000525
_exptl_crystal_density_diffrn    3.416
_cod_original_formula_sum        'Ca Al Si O5 H'
_cod_database_code               9000514
Proudite from Tennant Creek, Northern Territory, Australia: Its crystal structure and relationship with weibullite and wittite
Mumme, W. G.; American Mineralogist 61 (1976) 839–852; doi:

data_9000515
_publ_section_title
;
 Proudite from Tennant Creek, Northern Territory, Australia: Its crystal
 structure and relationship with weibullite and wittite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              839
_journal_page_last               852
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Bi18.8 Cu1.5 Pb14.5 S30 Se14'
_chemical_name_mineral           Proudite
_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                 109.52
_cell_angle_gamma                90
_cell_length_a                   31.960
_cell_length_b                   4.120
_cell_length_c                   36.690
_cell_formula_units_Z            2
_cell_volume                     4553.492
_database_code_amcsd             0000526
_exptl_crystal_density_diffrn    6.634
_cod_original_cell_volume        4553.491
_cod_original_formula_sum        'Pb14.5 Bi18.8 Cu1.5 S30 Se14'
_cod_database_code               9000515
Scapolite crystal chemistry: Aluminum-silicon distributions, carbonate group disorder, and thermal expansion before heating
Levien, L.; Papike, J. J.; American Mineralogist 61 (1976) 864–877; doi:

data_9000516
_publ_section_title
;
 Scapolite crystal chemistry: Aluminum-silicon distributions, carbonate group
 disorder, and thermal expansion
 before heating
;
_journal_name_full               'American Mineralogist'
_journal_page_first              864
_journal_page_last               877
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'C0.5 Al4 Ca1.5 Cl0.5 Na2.5 O25.5 Si8'
_chemical_name_mineral           Scapolite
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.069
_cell_length_b                   12.069
_cell_length_c                   7.581
_cell_formula_units_Z            2
_cell_volume                     1104.254
_database_code_amcsd             0000527
_exptl_crystal_density_diffrn    2.652
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum        '(Na2.5 Ca1.5) Si8 Al4 C.5 Cl.5 O25.5'
_cod_database_code               9000516
Scapolite crystal chemistry: Aluminum-silicon distributions, carbonate group disorder, and thermal expansion after heating
Levien, L.; Papike, J. J.; American Mineralogist 61 (1976) 864–877; doi:

data_9000517
_publ_section_title
;
 Scapolite crystal chemistry: Aluminum-silicon distributions, carbonate group
 disorder, and thermal expansion
 after heating
;
_journal_name_full               'American Mineralogist'
_journal_page_first              864
_journal_page_last               877
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'C0.5 Al4 Ca1.5 Cl0.5 Na2.5 O25.5 Si8'
_chemical_name_mineral           Scapolite
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.082
_cell_length_b                   12.082
_cell_length_c                   7.576
_cell_formula_units_Z            2
_cell_volume                     1105.905
_database_code_amcsd             0000528
_exptl_crystal_density_diffrn    2.648
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum        '(Na2.5 Ca1.5) Si8 Al4 C.5 Cl.5 O25.5'
_cod_database_code               9000517
The crystal structure of eakerite, a calcium-tin silicate Note: z-coordinate of Si2 altered
Kossiakoff, A. A.; Leavens, P. B.; American Mineralogist 61 (1976) 956–962; doi:

data_9000518
_publ_section_title
;
 The crystal structure of eakerite, a calcium-tin silicate
 Note: z-coordinate of Si2 altered
;
_journal_name_full               'American Mineralogist'
_journal_page_first              956
_journal_page_last               962
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Al2 Ca2 H6 O22 Si6 Sn'
_chemical_name_mineral           Eakerite
_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                 101.34
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.892
_cell_length_b                   7.721
_cell_length_c                   7.438
_cell_volume                     894.841
_database_code_amcsd             0000529
_exptl_crystal_density_diffrn    2.884
_cod_original_formula_sum        'Sn Ca2 Al2 Si6 O22 H6'
_cod_database_code               9000518
The crystal structure and extent of solid solution of geocronite
Birnie, R. W.; Burnham, C. W.; American Mineralogist 61 (1976) 963–970; doi:

data_9000519
_publ_section_title
;
 The crystal structure and extent of solid solution of geocronite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              963
_journal_page_last               970
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'As2 Pb15 S24 Sb4'
_chemical_name_mineral           Geocronite
_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                 118.02
_cell_angle_gamma                90
_cell_length_a                   8.963
_cell_length_b                   31.93
_cell_length_c                   8.500
_cell_formula_units_Z            2
_cell_volume                     2147.462
_database_code_amcsd             0000530
_exptl_crystal_density_diffrn    6.982
_cod_original_formula_sum        'Pb15 Sb4 As2 S24'
_cod_database_code               9000519
The superstructure of meteoritic low tridymite solved by computer simulation
Dollase, W. A.; Baur, W. H.; American Mineralogist 61 (1976) 971–978; doi:

data_9000520
_publ_section_title
;
 The superstructure of meteoritic low tridymite solved by computer simulation
;
_journal_name_full               'American Mineralogist'
_journal_page_first              971
_journal_page_last               978
_journal_volume                  61
_journal_year                    1976
_chemical_compound_source        'Steinbach meteorite, Saxony, Germany'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Tridymite
_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                 105.82
_cell_angle_gamma                90
_cell_length_a                   18.524
_cell_length_b                   5.0032
_cell_length_c                   23.810
_cell_formula_units_Z            48
_cell_volume                     2123.110
_database_code_amcsd             0000531
_exptl_crystal_density_diffrn    2.256
_cod_original_formula_sum        'Si O2'
_cod_database_code               9000520
The crystal structure and infrared properties of adamite
Hill, R. J.; American Mineralogist 61 (1976) 979–986; doi:

data_9000521
_publ_section_title
;
 The crystal structure and infrared properties of adamite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              979
_journal_page_last               986
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'As H O5 Zn2'
_chemical_name_mineral           Adamite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.306
_cell_length_b                   8.524
_cell_length_c                   6.043
_cell_volume                     427.846
_database_code_amcsd             0000532
_exptl_crystal_density_diffrn    4.451
_cod_original_formula_sum        'As Zn2 O5 H'
_cod_database_code               9000521
The crystal structure of hopeite
Hill, R. J.; Jones, J. B.; American Mineralogist 61 (1976) 987–995; doi:

data_9000522
_publ_section_title
;
 The crystal structure of hopeite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              987
_journal_page_last               995
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'H10 O12 P2 Zn3'
_chemical_name_mineral           Hopeite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.597
_cell_length_b                   18.318
_cell_length_c                   5.031
_cell_volume                     976.597
_database_code_amcsd             0000533
_exptl_crystal_density_diffrn    3.130
_cod_original_formula_sum        'Zn3 P2 (O12 H10)'
_cod_database_code               9000522
Crystal structure refinement of covellite
Evans, H. T.; Konnert, J. A.; American Mineralogist 61 (1976) 996–1000; doi:

data_9000523
_publ_section_title
;
 Crystal structure refinement of covellite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              996
_journal_page_last               1000
_journal_volume                  61
_journal_year                    1976
_chemical_compound_source        'Summitville, Colorado'
_chemical_formula_sum            'Cu S'
_chemical_name_mineral           Covellite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.7938
_cell_length_b                   3.7938
_cell_length_c                   16.341
_cell_formula_units_Z            6
_cell_volume                     203.685
_database_code_amcsd             0000534
_exptl_crystal_density_diffrn    4.677
_cod_database_code               9000523
The structure of crichtonite and its relationship to senaite
Grey, I. E.; Lloyd, D. J.; White, J. S.; American Mineralogist 61 (1976) 1203–1212; doi:

data_9000524
_publ_section_title
;
 The structure of crichtonite and its relationship to senaite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1203
_journal_page_last               1212
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum
'Ce0.05 Fe6.698 La0.05 Mn0.7 O38 Pb0.1 Sr0.7 Ti13.602'
_chemical_name_mineral           Crichtonite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                69.078
_cell_angle_beta                 69.078
_cell_angle_gamma                69.078
_cell_length_a                   9.148
_cell_length_b                   9.148
_cell_length_c                   9.148
_cell_formula_units_Z            1
_cell_volume                     644.398
_database_code_amcsd             0000535
_exptl_crystal_density_diffrn    4.555
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum
'Sr.7 Pb.1 La.05 Ce.05 Mn.7 Fe6.698 Ti13.602 O38'
_cod_database_code               9000524