LMucko/crystallography-open-database huggingface dataset:
Cation ordering in Ni-Mg olivines sample Ni.63, heated to 800 C, then quenched Mg.634Ni1.363SiO4
Ottonello, G.; Della Giusta, A.; Molin, G. M.; American Mineralogist 74 (1989) 411–421; doi:

data_9001202
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.63, heated to 800 C, then quenched
 Mg.634Ni1.363SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg0.62 Ni1.38 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7345
_cell_length_b                   10.1623
_cell_length_c                   5.9317
_cell_formula_units_Z            4
_cell_volume                     285.394
_database_code_amcsd             0001225
_exptl_crystal_density_diffrn    4.379
_exptl_crystal_thermal_history   'heated to 800 C, then quenched'
_cod_original_formula_sum        '(Ni1.38 Mg.62) Si O4'
_cod_database_code               9001202
Cation ordering in Ni-Mg olivines sample Ni.63, heated to 1150 C, then quenched Mg.634Ni1.363SiO4
Ottonello, G.; Della Giusta, A.; Molin, G. M.; American Mineralogist 74 (1989) 411–421; doi:

data_9001203
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.63, heated to 1150 C, then quenched
 Mg.634Ni1.363SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg0.601 Ni1.399 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7370
_cell_length_b                   10.1616
_cell_length_c                   5.9337
_cell_formula_units_Z            4
_cell_volume                     285.622
_database_code_amcsd             0001226
_exptl_crystal_density_diffrn    4.391
_exptl_crystal_thermal_history   'heated to 1150 C, then quenched'
_cod_original_formula_sum        '(Ni1.399 Mg.601) Si O4'
_cod_database_code               9001203
Cation ordering in Ni-Mg olivines sample Ni.75, synthesized at 910 C, then quenched Mg.505Ni1.492SiO4
Ottonello, G.; Della Giusta, A.; Molin, G. M.; American Mineralogist 74 (1989) 411–421; doi:

data_9001204
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.75, synthesized at 910 C, then quenched
 Mg.505Ni1.492SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg0.45 Ni1.55 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7339
_cell_length_b                   10.1583
_cell_length_c                   5.9303
_cell_formula_units_Z            4
_cell_volume                     285.178
_database_code_amcsd             0001227
_exptl_crystal_density_diffrn    4.518
_exptl_crystal_thermal_history   'synthesized at 910 C, then quenched'
_cod_original_cell_volume        285.179
_cod_original_formula_sum        '(Ni1.55 Mg.45) Si O4'
_cod_database_code               9001204
Cation ordering in Ni-Mg olivines sample Ni.75, heated to 1150 C, then quenched Mg.505Ni1.492SiO4
Ottonello, G.; Della Giusta, A.; Molin, G. M.; American Mineralogist 74 (1989) 411–421; doi:

data_9001205
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.75, heated to 1150 C, then quenched
 Mg.505Ni1.492SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg0.54 Ni1.46 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7350
_cell_length_b                   10.1526
_cell_length_c                   5.9278
_cell_formula_units_Z            4
_cell_volume                     284.965
_database_code_amcsd             0001228
_exptl_crystal_density_diffrn    4.450
_exptl_crystal_thermal_history   'heated to 1150 C, then quenched'
_cod_original_formula_sum        '(Ni1.46 Mg.54) Si O4'
_cod_database_code               9001205
Crystal chemistry of alkali-deficient schorl and tourmaline structural relationships
Foit, F. F.; American Mineralogist 74 (1989) 422–431; doi:

data_9001206
_publ_section_title
;
 Crystal chemistry of alkali-deficient schorl and tourmaline structural
 relationships
;
_journal_name_full               'American Mineralogist'
_journal_page_first              422
_journal_page_last               431
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Al6.966 B3 Fe1.902 H3 Na0.54 O30.333 Si5.856'
_chemical_name_mineral           Schorl
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.963
_cell_length_b                   15.963
_cell_length_c                   7.148
_cell_volume                     1577.409
_exptl_crystal_density_diffrn    3.132
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na.54 Fe1.902 Al6.966 B3 Si5.856 O30.333 H3'
_cod_database_code               9001206
Crystal structure of synthetic lipscombite: A redetermination
Vencato, I.; Mattievich, E.; Mascarenhas, Y. P.; American Mineralogist 74 (1989) 456–460; doi:

data_9001207
_publ_section_title
;
 Crystal structure of synthetic lipscombite: A redetermination
;
_journal_name_full               'American Mineralogist'
_journal_page_first              456
_journal_page_last               460
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe1.473 H O5 P'
_chemical_name_mineral           Lipscombite
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.310
_cell_length_b                   7.310
_cell_length_c                   13.212
_cell_volume                     705.998
_database_code_amcsd             0001230
_exptl_crystal_density_diffrn    3.655
_cod_original_formula_sum        'Fe1.473 P O5 H'
_cod_database_code               9001207
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, natural
Molin, G. M.; American Mineralogist 74 (1989) 593–598; doi:

data_9001208
_publ_section_title
;
 Crystal-chemical study of cation disordering in Al-rich and Al-poor
 orthopyroxenes from spinel lherzolite xenoliths
 sample Le4A, natural
;
_journal_name_full               'American Mineralogist'
_journal_page_first              593
_journal_page_last               598
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe0.106 Mg0.894 O3 Si'
_chemical_name_mineral           Pyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.241
_cell_length_b                   8.804
_cell_length_c                   5.198
_cell_formula_units_Z            16
_cell_volume                     834.766
_database_code_amcsd             0001232
_exptl_crystal_density_diffrn    3.302
_cod_original_formula_sum        '(Mg.894 Fe.106) Si O3'
_cod_database_code               9001208
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1050 C, 3 min
Molin, G. M.; American Mineralogist 74 (1989) 593–598; doi:

data_9001209
_publ_section_title
;
 Crystal-chemical study of cation disordering in Al-rich and Al-poor
 orthopyroxenes from spinel lherzolite xenoliths
 sample Le4A, 1050 C, 3 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              593
_journal_page_last               598
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe0.105 Mg0.895 O3 Si'
_chemical_name_mineral           Pyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.244
_cell_length_b                   8.805
_cell_length_c                   5.196
_cell_formula_units_Z            16
_cell_volume                     834.677
_database_code_amcsd             0001233
_exptl_crystal_density_diffrn    3.301
_cod_original_formula_sum        '(Mg.895 Fe.105) Si O3'
_cod_database_code               9001209
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1050 C, 10 min
Molin, G. M.; American Mineralogist 74 (1989) 593–598; doi:

data_9001210
_publ_section_title
;
 Crystal-chemical study of cation disordering in Al-rich and Al-poor
 orthopyroxenes from spinel lherzolite xenoliths
 sample Le4A, 1050 C, 10 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              593
_journal_page_last               598
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe0.108 Mg0.893 O3 Si'
_chemical_name_mineral           Pyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.243
_cell_length_b                   8.808
_cell_length_c                   5.197
_cell_formula_units_Z            16
_cell_volume                     835.077
_database_code_amcsd             0001234
_exptl_crystal_density_diffrn    3.302
_cod_original_cell_volume        835.076
_cod_original_formula_sum        '(Mg.893 Fe.108) Si O3'
_cod_database_code               9001210
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1050 C, 90 min
Molin, G. M.; American Mineralogist 74 (1989) 593–598; doi:

data_9001211
_publ_section_title
;
 Crystal-chemical study of cation disordering in Al-rich and Al-poor
 orthopyroxenes from spinel lherzolite xenoliths
 sample Le4A, 1050 C, 90 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              593
_journal_page_last               598
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe0.105 Mg0.895 O3 Si'
_chemical_name_mineral           Pyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.244
_cell_length_b                   8.805
_cell_length_c                   5.196
_cell_formula_units_Z            16
_cell_volume                     834.677
_database_code_amcsd             0001235
_exptl_crystal_density_diffrn    3.301
_cod_original_formula_sum        '(Mg.895 Fe.105) Si O3'
_cod_database_code               9001211
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1150 C, 2 min
Molin, G. M.; American Mineralogist 74 (1989) 593–598; doi:

data_9001212
_publ_section_title
;
 Crystal-chemical study of cation disordering in Al-rich and Al-poor
 orthopyroxenes from spinel lherzolite xenoliths
 sample Le4A, 1150 C, 2 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              593
_journal_page_last               598
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe0.106 Mg0.893 O3 Si'
_chemical_name_mineral           Pyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.246
_cell_length_b                   8.809
_cell_length_c                   5.197
_cell_formula_units_Z            16
_cell_volume                     835.309
_database_code_amcsd             0001236
_exptl_crystal_density_diffrn    3.300
_cod_original_formula_sum        '(Mg.893 Fe.106) Si O3'
_cod_database_code               9001212
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1150 C, 10 min
Molin, G. M.; American Mineralogist 74 (1989) 593–598; doi:

data_9001213
_publ_section_title
;
 Crystal-chemical study of cation disordering in Al-rich and Al-poor
 orthopyroxenes from spinel lherzolite xenoliths
 sample Le4A, 1150 C, 10 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              593
_journal_page_last               598
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe0.106 Mg0.893 O3 Si'
_chemical_name_mineral           Pyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.242
_cell_length_b                   8.803
_cell_length_c                   5.198
_cell_formula_units_Z            16
_cell_volume                     834.717
_database_code_amcsd             0001237
_exptl_crystal_density_diffrn    3.302
_cod_original_formula_sum        '(Mg.893 Fe.106) Si O3'
_cod_database_code               9001213
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, natural
Molin, G. M.; American Mineralogist 74 (1989) 593–598; doi:

data_9001214
_publ_section_title
;
 Crystal-chemical study of cation disordering in Al-rich and Al-poor
 orthopyroxenes from spinel lherzolite xenoliths
 sample Le9A, natural
;
_journal_name_full               'American Mineralogist'
_journal_page_first              593
_journal_page_last               598
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe0.085 Mg0.915 O3 Si'
_chemical_name_mineral           Pyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.246
_cell_length_b                   8.828
_cell_length_c                   5.189
_cell_formula_units_Z            16
_cell_volume                     835.822
_database_code_amcsd             0001238
_exptl_crystal_density_diffrn    3.276
_cod_original_formula_sum        '(Mg.915 Fe.085) Si O3'
_cod_database_code               9001214
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1050 C, 3 min
Molin, G. M.; American Mineralogist 74 (1989) 593–598; doi:

data_9001215
_publ_section_title
;
 Crystal-chemical study of cation disordering in Al-rich and Al-poor
 orthopyroxenes from spinel lherzolite xenoliths
 sample Le9A, 1050 C, 3 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              593
_journal_page_last               598
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe0.084 Mg0.916 O3 Si'
_chemical_name_mineral           Pyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.250
_cell_length_b                   8.830
_cell_length_c                   5.190
_cell_formula_units_Z            16
_cell_volume                     836.356
_database_code_amcsd             0001239
_exptl_crystal_density_diffrn    3.273
_cod_original_cell_volume        836.355
_cod_original_formula_sum        '(Mg.916 Fe.084) Si O3'
_cod_database_code               9001215
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1050 C, 10 min
Molin, G. M.; American Mineralogist 74 (1989) 593–598; doi:

data_9001216
_publ_section_title
;
 Crystal-chemical study of cation disordering in Al-rich and Al-poor
 orthopyroxenes from spinel lherzolite xenoliths
 sample Le9A, 1050 C, 10 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              593
_journal_page_last               598
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe0.086 Mg0.914 O3 Si'
_chemical_name_mineral           Pyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.250
_cell_length_b                   8.829
_cell_length_c                   5.191
_cell_formula_units_Z            16
_cell_volume                     836.422
_database_code_amcsd             0001240
_exptl_crystal_density_diffrn    3.274
_cod_original_formula_sum        '(Mg.914 Fe.086) Si O3'
_cod_database_code               9001216
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1050 C, 90 min
Molin, G. M.; American Mineralogist 74 (1989) 593–598; doi:

data_9001217
_publ_section_title
;
 Crystal-chemical study of cation disordering in Al-rich and Al-poor
 orthopyroxenes from spinel lherzolite xenoliths
 sample Le9A, 1050 C, 90 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              593
_journal_page_last               598
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe0.086 Mg0.914 O3 Si'
_chemical_name_mineral           Pyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.248
_cell_length_b                   8.831
_cell_length_c                   5.189
_cell_formula_units_Z            16
_cell_volume                     836.197
_database_code_amcsd             0001241
_exptl_crystal_density_diffrn    3.275
_cod_original_formula_sum        '(Mg.914 Fe.086) Si O3'
_cod_database_code               9001217
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1150 C, 2 min
Molin, G. M.; American Mineralogist 74 (1989) 593–598; doi:

data_9001218
_publ_section_title
;
 Crystal-chemical study of cation disordering in Al-rich and Al-poor
 orthopyroxenes from spinel lherzolite xenoliths
 sample Le9A, 1150 C, 2 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              593
_journal_page_last               598
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe0.087 Mg0.913 O3 Si'
_chemical_name_mineral           Pyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.248
_cell_length_b                   8.832
_cell_length_c                   5.192
_cell_formula_units_Z            16
_cell_volume                     836.776
_database_code_amcsd             0001242
_exptl_crystal_density_diffrn    3.275
_cod_original_formula_sum        '(Mg.913 Fe.087) Si O3'
_cod_database_code               9001218
Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1150 C, 10 min
Molin, G. M.; American Mineralogist 74 (1989) 593–598; doi:

data_9001219
_publ_section_title
;
 Crystal-chemical study of cation disordering in Al-rich and Al-poor
 orthopyroxenes from spinel lherzolite xenoliths
 sample Le9A, 1150 C, 10 min
;
_journal_name_full               'American Mineralogist'
_journal_page_first              593
_journal_page_last               598
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Fe0.086 Mg0.914 O3 Si'
_chemical_name_mineral           Pyroxene
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.243
_cell_length_b                   8.834
_cell_length_c                   5.190
_cell_formula_units_Z            16
_cell_volume                     836.413
_database_code_amcsd             0001243
_exptl_crystal_density_diffrn    3.275
_cod_original_formula_sum        '(Mg.914 Fe.086) Si O3'
_cod_database_code               9001219