LMucko/crystallography-open-database huggingface dataset:
Thermal expansion of the pentlandite structure Frood, at 24 deg C after heating
Rajamani, V.; Prewitt, C. T.; American Mineralogist 60 (1975) 39–48; doi:

data_9000428
_publ_section_title
;
 Thermal expansion of the pentlandite structure
 Frood, at 24 deg C after heating
;
_journal_name_full               'American Mineralogist'
_journal_page_first              39
_journal_page_last               48
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Co0.072 Fe3.969 Ni4.842 S8'
_chemical_name_mineral           Pentlandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.093
_cell_length_b                   10.093
_cell_length_c                   10.093
_cell_formula_units_Z            4
_cell_volume                     1028.160
_database_code_amcsd             0000439
_exptl_crystal_density_diffrn    4.952
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Fe3.969 Ni4.842 Co.072 S8'
_cod_database_code               9000428
Thermal expansion of the pentlandite structure Outokumpu, at 24 deg C
Rajamani, V.; Prewitt, C. T.; American Mineralogist 60 (1975) 39–48; doi:

data_9000429
_publ_section_title
;
 Thermal expansion of the pentlandite structure
 Outokumpu, at 24 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              39
_journal_page_last               48
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Co5.571 Fe1.629 Ni1.818 S8'
_chemical_name_mineral           Pentlandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.977
_cell_length_b                   9.977
_cell_length_c                   9.977
_cell_formula_units_Z            4
_cell_volume                     993.116
_database_code_amcsd             0000440
_exptl_crystal_density_diffrn    5.234
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Fe1.629 Ni1.818 Co5.571 S8'
_cod_database_code               9000429
Thermal expansion of the pentlandite structure Outokumpu, at 235 deg C
Rajamani, V.; Prewitt, C. T.; American Mineralogist 60 (1975) 39–48; doi:

data_9000430
_publ_section_title
;
 Thermal expansion of the pentlandite structure
 Outokumpu, at 235 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              39
_journal_page_last               48
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Co5.571 Fe1.629 Ni1.818 S8'
_chemical_name_mineral           Pentlandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.004
_cell_length_b                   10.004
_cell_length_c                   10.004
_cell_formula_units_Z            4
_cell_volume                     1001.200
_database_code_amcsd             0000441
_exptl_crystal_density_diffrn    5.191
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Fe1.629 Ni1.818 Co5.571 S8'
_cod_database_code               9000430
Thermal expansion of the pentlandite structure Outokumpu, at 350 deg C
Rajamani, V.; Prewitt, C. T.; American Mineralogist 60 (1975) 39–48; doi:

data_9000431
_publ_section_title
;
 Thermal expansion of the pentlandite structure
 Outokumpu, at 350 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              39
_journal_page_last               48
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Co5.571 Fe1.629 Ni1.818 S8'
_chemical_name_mineral           Pentlandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.031
_cell_length_b                   10.031
_cell_length_c                   10.031
_cell_formula_units_Z            4
_cell_volume                     1009.329
_database_code_amcsd             0000442
_exptl_crystal_density_diffrn    5.150
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Fe1.629 Ni1.818 Co5.571 S8'
_cod_database_code               9000431
Thermal expansion of the pentlandite structure Outokumpu, at 24 deg C after heating
Rajamani, V.; Prewitt, C. T.; American Mineralogist 60 (1975) 39–48; doi:

data_9000432
_publ_section_title
;
 Thermal expansion of the pentlandite structure
 Outokumpu, at 24 deg C after heating
;
_journal_name_full               'American Mineralogist'
_journal_page_first              39
_journal_page_last               48
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Co5.571 Fe1.629 Ni1.818 S8'
_chemical_name_mineral           Pentlandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.969
_cell_length_b                   9.969
_cell_length_c                   9.969
_cell_formula_units_Z            4
_cell_volume                     990.729
_database_code_amcsd             0000443
_exptl_crystal_density_diffrn    5.246
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Fe1.629 Ni1.818 Co5.571 S8'
_cod_database_code               9000432
The structure of partially disordered, synthetic strontium feldspar
Chiari, G.; Calleri, M.; Bruno, E.; Ribbe, P. H.; American Mineralogist 60 (1975) 111–119; doi:

data_9000433
_publ_section_title
;
 The structure of partially disordered, synthetic strontium feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              111
_journal_page_last               119
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Al2 O8 Si2 Sr'
_chemical_name_mineral           Feldspar
_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                 115.2
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.388
_cell_length_b                   12.974
_cell_length_c                   14.264
_cell_volume                     1404.557
_database_code_amcsd             0000444
_exptl_crystal_density_diffrn    3.081
_cod_original_formula_sum        'Sr (Si2 Al2) O8'
_cod_database_code               9000433
The crystal structure of whitlockite from the Palermo quarry
Calvo, C.; Gopal, R.; American Mineralogist 60 (1975) 120–133; doi:

data_9000434
_publ_section_title
;
 The crystal structure of whitlockite from the Palermo quarry
;
_journal_name_full               'American Mineralogist'
_journal_page_first              120
_journal_page_last               133
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Ca9.095 Fe0.413 Mg0.587 O28 P7'
_chemical_name_mineral           Whitlockite
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.330
_cell_length_b                   10.330
_cell_length_c                   37.103
_cell_formula_units_Z            6
_cell_volume                     3428.785
_database_code_amcsd             0000445
_exptl_crystal_density_diffrn    3.099
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        '(Mg.587 Fe.413) Ca9.095 P7 O28'
_cod_database_code               9000434
The crystal structures of pyrope and grossularite at elevated temperatures T = 25 deg C garnet
Meagher, E. P.; American Mineralogist 60 (1975) 218–228; doi:

data_9000435
_publ_section_title
;
 The crystal structures of pyrope and grossularite at elevated temperatures
 T = 25 deg C
 garnet
;
_journal_name_full               'American Mineralogist'
_journal_page_first              218
_journal_page_last               228
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.456
_cell_length_b                   11.456
_cell_length_c                   11.456
_cell_formula_units_Z            8
_cell_volume                     1503.485
_database_code_amcsd             0000446
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.562
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9000435
The crystal structures of pyrope and grossularite at elevated temperatures T = 350 deg C garnet
Meagher, E. P.; American Mineralogist 60 (1975) 218–228; doi:

data_9000436
_publ_section_title
;
 The crystal structures of pyrope and grossularite at elevated temperatures
 T = 350 deg C
 garnet
;
_journal_name_full               'American Mineralogist'
_journal_page_first              218
_journal_page_last               228
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.490
_cell_length_b                   11.490
_cell_length_c                   11.490
_cell_formula_units_Z            8
_cell_volume                     1516.911
_database_code_amcsd             0000447
_diffrn_ambient_temperature      623.15
_exptl_crystal_density_diffrn    3.530
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9000436
The crystal structures of pyrope and grossularite at elevated temperatures T = 550 deg C garnet
Meagher, E. P.; American Mineralogist 60 (1975) 218–228; doi:

data_9000437
_publ_section_title
;
 The crystal structures of pyrope and grossularite at elevated temperatures
 T = 550 deg C
 garnet
;
_journal_name_full               'American Mineralogist'
_journal_page_first              218
_journal_page_last               228
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.507
_cell_length_b                   11.507
_cell_length_c                   11.507
_cell_formula_units_Z            8
_cell_volume                     1523.654
_database_code_amcsd             0000448
_diffrn_ambient_temperature      823.15
_exptl_crystal_density_diffrn    3.515
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9000437
The crystal structures of pyrope and grossularite at elevated temperatures T = 750 deg C garnet
Meagher, E. P.; American Mineralogist 60 (1975) 218–228; doi:

data_9000438
_publ_section_title
;
 The crystal structures of pyrope and grossularite at elevated temperatures
 T = 750 deg C
 garnet
;
_journal_name_full               'American Mineralogist'
_journal_page_first              218
_journal_page_last               228
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.530
_cell_length_b                   11.530
_cell_length_c                   11.530
_cell_formula_units_Z            8
_cell_volume                     1532.809
_database_code_amcsd             0000449
_diffrn_ambient_temperature      1023.15
_exptl_crystal_density_diffrn    3.494
_cod_original_cell_volume        1532.808
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9000438
The crystal structures of pyrope and grossularite at elevated temperatures T = 25 deg C garnet
Meagher, E. P.; American Mineralogist 60 (1975) 218–228; doi:

data_9000439
_publ_section_title
;
 The crystal structures of pyrope and grossularite at elevated temperatures
 T = 25 deg C
 garnet
;
_journal_name_full               'American Mineralogist'
_journal_page_first              218
_journal_page_last               228
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Al2 Ca3 O12 Si3'
_chemical_name_mineral           Grossular
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.846
_cell_length_b                   11.846
_cell_length_c                   11.846
_cell_formula_units_Z            8
_cell_volume                     1662.322
_database_code_amcsd             0000450
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.600
_cod_original_formula_sum        'Ca3 Al2 Si3 O12'
_cod_database_code               9000439
The crystal structures of pyrope and grossularite at elevated temperatures T = 365 deg C garnet
Meagher, E. P.; American Mineralogist 60 (1975) 218–228; doi:

data_9000440
_publ_section_title
;
 The crystal structures of pyrope and grossularite at elevated temperatures
 T = 365 deg C
 garnet
;
_journal_name_full               'American Mineralogist'
_journal_page_first              218
_journal_page_last               228
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Al2 Ca3 O12 Si3'
_chemical_name_mineral           Grossular
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.880
_cell_length_b                   11.880
_cell_length_c                   11.880
_cell_formula_units_Z            8
_cell_volume                     1676.677
_database_code_amcsd             0000451
_diffrn_ambient_temperature      638.15
_exptl_crystal_density_diffrn    3.569
_cod_original_formula_sum        'Ca3 Al2 Si3 O12'
_cod_database_code               9000440
The crystal structures of pyrope and grossularite at elevated temperatures garnet T = 675 deg C
Meagher, E. P.; American Mineralogist 60 (1975) 218–228; doi:

data_9000441
_publ_section_title
;
 The crystal structures of pyrope and grossularite at elevated temperatures
 garnet
 T = 675 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              218
_journal_page_last               228
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Al2 Ca3 O12 Si3'
_chemical_name_mineral           Grossular
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.917
_cell_length_b                   11.917
_cell_length_c                   11.917
_cell_formula_units_Z            8
_cell_volume                     1692.391
_database_code_amcsd             0000452
_diffrn_ambient_temperature      948.15
_exptl_crystal_density_diffrn    3.536
_cod_original_formula_sum        'Ca3 Al2 Si3 O12'
_cod_database_code               9000441
Szaibelyite, Mq2(OH)[B2O4(OH)]: Crystal structure, pseudosymmetry, and polymorphism
Takeuchi, Y.; Kudoh, Y.; American Mineralogist 60 (1975) 273–279; doi:

data_9000442
_publ_section_title
;
 Szaibelyite, Mq2(OH)[B2O4(OH)]: Crystal structure, pseudosymmetry, and
 polymorphism
;
_journal_name_full               'American Mineralogist'
_journal_page_first              273
_journal_page_last               279
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'B H Mg O3'
_chemical_name_mineral           Szaibelyite
_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                 95.9
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.577
_cell_length_b                   10.393
_cell_length_c                   3.139
_cell_volume                     408.134
_database_code_amcsd             0000453
_exptl_crystal_density_diffrn    2.738
_cod_original_formula_sum        'Mg B O3 H'
_cod_database_code               9000442
The crystal structure of ancylite, (RE)x(Ca,Sr)2-x(CO3)2(OH)x*(2-x)H2O
Dal Negro A; Rossi G; Tazzoli V; American Mineralogist 60 (1975) 280–284; doi:

data_9000443
_publ_section_title
;
 The crystal structure of ancylite, (RE)x(Ca,Sr)2-x(CO3)2(OH)x*(2-x)H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              280
_journal_page_last               284
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'C H0.81 Ca0.1 Ce0.42 La0.28 O4 Sr0.2'
_chemical_name_mineral           Ancylite-(Ce)
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.030
_cell_length_b                   8.520
_cell_length_c                   7.290
_cell_volume                     312.417
_cod_original_formula_sum        '(Ce.42 La.28 Sr.2 Ca.1) C O4 H.81'
_cod_database_code               9000443
Cation ordering in Ni-Mg olivine
Rajamani, V.; Brown, G. E.; Prewitt, C. T.; American Mineralogist 60 (1975) 292–299; doi:

data_9000444
_publ_section_title
;
 Cation ordering in Ni-Mg olivine
;
_journal_name_full               'American Mineralogist'
_journal_page_first              292
_journal_page_last               299
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Mg0.97 Ni1.03 O4 Si'
_chemical_name_mineral           Liebenbergite
_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                   4.7366
_cell_length_b                   10.1716
_cell_length_c                   5.9374
_cell_formula_units_Z            4
_cell_volume                     286.057
_database_code_amcsd             0000455
_exptl_crystal_density_diffrn    4.089
_cod_original_formula_sum        'Si (Ni1.03 Mg.97) O4'
_cod_database_code               9000444
The crystal structure of krupkaite, CuPbBi3S6, from the Juno Mine at Tennant Creek, Northern Territory, Australia
Mumme, W. G.; American Mineralogist 60 (1975) 300–308; doi:

data_9000445
_publ_section_title
;
 The crystal structure of krupkaite, CuPbBi3S6, from the Juno Mine at Tennant
 Creek, Northern Territory, Australia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              300
_journal_page_last               308
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Bi3 Cu Pb S6'
_chemical_name_mineral           Krupkaite
_space_group_IT_number           26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.003
_cell_length_b                   11.200
_cell_length_c                   11.560
_cell_formula_units_Z            2
_cell_volume                     518.276
_database_code_amcsd             0000456
_exptl_crystal_density_diffrn    6.985
_cod_original_formula_sum        'Bi3 Pb Cu S6'
_cod_database_code               9000445
The effect of Ca-Fe substitution on the clinopyroxene crystal structure Fs65Wo35
Ohashi, Y.; Burnham, C. W.; Finger, L. W.; American Mineralogist 60 (1975) 423–434; doi:

data_9000446
_publ_section_title
;
 The effect of Ca-Fe substitution on the clinopyroxene crystal structure
 Fs65Wo35
;
_journal_name_full               'American Mineralogist'
_journal_page_first              423
_journal_page_last               434
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Ca0.7 Fe1.3 O6 Si2'
_chemical_name_mineral           Ferrosilite
_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                 105.3
_cell_angle_gamma                90
_cell_length_a                   9.812
_cell_length_b                   9.049
_cell_length_c                   5.233
_cell_formula_units_Z            4
_cell_volume                     448.164
_database_code_amcsd             0000457
_exptl_crystal_density_diffrn    3.747
_cod_original_formula_sum        'Si2 Fe1.3 Ca.7 O6'
_cod_database_code               9000446
The effect of Ca-Fe substitution on the clinopyroxene crystal structure Fs75Wo25
Ohashi, Y.; Burnham, C. W.; Finger, L. W.; American Mineralogist 60 (1975) 423–434; doi:

data_9000447
_publ_section_title
;
 The effect of Ca-Fe substitution on the clinopyroxene crystal structure
 Fs75Wo25
;
_journal_name_full               'American Mineralogist'
_journal_page_first              423
_journal_page_last               434
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Ca0.5 Fe1.5 O6 Si2'
_chemical_name_mineral           Ferrosilite
_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                 106.6
_cell_angle_gamma                90
_cell_length_a                   9.781
_cell_length_b                   9.072
_cell_length_c                   5.246
_cell_formula_units_Z            4
_cell_volume                     446.094
_database_code_amcsd             0000458
_exptl_crystal_density_diffrn    3.811
_cod_original_formula_sum        'Fe1.5 Ca.5 Si2 O6'
_cod_database_code               9000447