LMucko/crystallography-open-database huggingface dataset:
The crystal structure of namuwite, a mineral with Zn in tetrahedral and octahedral coordination, and its relationship to the synthetic basic zinc sulfates Note: U(1,2) for S has been changed to match symmetry constraints.
Groat, L. A.; American Mineralogist 81 (1996) 238–243; doi:

data_9001719
_publ_section_title
;
 The crystal structure of namuwite, a mineral with Zn in tetrahedral and
 octahedral coordination, and its relationship to the synthetic basic zinc
 sulfates
 Note: U(1,2) for S has been changed to match symmetry constraints.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              238
_journal_page_last               243
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'H6 O14 S Zn4'
_chemical_name_mineral           Namuwite
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.330
_cell_length_b                   8.330
_cell_length_c                   10.540
_cell_volume                     633.375
_exptl_crystal_density_diffrn    2.746
_cod_depositor_comments
;

2017-09-06
Z value inserted to be consistent with given formula 
Water oxygen renamed so they are recognized as oxygens.
                 miguel
;
_cod_original_formula_sum        'Zn4 S O14 H6'
_cod_database_code               9001719
Bechererite, (Zn,Cu)6Zn2(OH)13[(S,Si)(O,OH)4]2, a novel mineral species from the Tonopah-Belmont mine, Arizonia Note: U(1,2) changed for Si, S, O1, OH1 to match symmetry constraints.
Giester, G.; Rieck, B.; American Mineralogist 81 (1996) 244–248; doi:

data_9001720
_publ_section_title
;Bechererite, (Zn,Cu)6Zn2(OH)13[(S,Si)(O,OH)4]2, a novel mineral species from
 the Tonopah-Belmont mine, Arizonia Note: U(1,2) changed for Si, S, O1, OH1 to
 match symmetry constraints.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              244
_journal_page_last               248
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Cu1.002 H19 O21 S Si Zn6.938'
_chemical_name_mineral           Bechererite
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   8.319
_cell_length_b                   8.319
_cell_length_c                   7.377
_cell_volume                     442.133
_database_code_amcsd             0001776
_exptl_crystal_density_diffrn    3.503
_cod_original_formula_sum        'Zn6.938 Cu1.002 (Si S) H19 O21'
_cod_database_code               9001720
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #0, P = 0.0 GPa
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 81 (1996) 327–334; doi:

data_9001721
_publ_section_title
;High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
 compression Sample: #0, P = 0.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              327
_journal_page_last               334
_journal_volume                  81
_journal_year                    1996
_chemical_formula_structural     LiScSiO4
_chemical_formula_sum            'Li O4 Sc Si'
_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                   4.8168
_cell_length_b                   10.4317
_cell_length_c                   5.9650
_cell_formula_units_Z            4
_cell_volume                     299.726
_database_code_amcsd             0001777
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.191
_cod_original_formula_sum        'Si Li Sc O4'
_cod_database_code               9001721
_amcsd_formula_title             LiScSiO4
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #1, P = 0.06 GPa
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 81 (1996) 327–334; doi:

data_9001722
_publ_section_title
;High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
 compression Sample: #1, P = 0.06 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              327
_journal_page_last               334
_journal_volume                  81
_journal_year                    1996
_chemical_formula_structural     LiScSiO4
_chemical_formula_sum            'Li O4 Sc Si'
_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                   4.8189
_cell_length_b                   10.4373
_cell_length_c                   5.9695
_cell_formula_units_Z            4
_cell_volume                     300.244
_database_code_amcsd             0001778
_diffrn_ambient_pressure         60000
_exptl_crystal_density_diffrn    3.185
_cod_original_formula_sum        'Si Li Sc O4'
_cod_database_code               9001722
_amcsd_formula_title             LiScSiO4
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 0.21 GPa
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 81 (1996) 327–334; doi:

data_9001723
_publ_section_title
;High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
 compression Sample: #2, P = 0.21 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              327
_journal_page_last               334
_journal_volume                  81
_journal_year                    1996
_chemical_formula_structural     LiScSiO4
_chemical_formula_sum            'Li O4 Sc Si'
_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                   4.8198
_cell_length_b                   10.4378
_cell_length_c                   5.9699
_cell_formula_units_Z            4
_cell_volume                     300.334
_database_code_amcsd             0001779
_diffrn_ambient_pressure         2.1e+05
_exptl_crystal_density_diffrn    3.184
_cod_original_formula_sum        'Si Li Sc O4'
_cod_database_code               9001723
_amcsd_formula_title             LiScSiO4
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 0.23 GPa
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 81 (1996) 327–334; doi:

data_9001724
_publ_section_title
;High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
 compression Sample: #2, P = 0.23 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              327
_journal_page_last               334
_journal_volume                  81
_journal_year                    1996
_chemical_formula_structural     LiScSiO4
_chemical_formula_sum            'Li O4 Sc Si'
_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                   4.8190
_cell_length_b                   10.4333
_cell_length_c                   5.9672
_cell_formula_units_Z            4
_cell_volume                     300.019
_database_code_amcsd             0001780
_diffrn_ambient_pressure         2.3e+05
_exptl_crystal_density_diffrn    3.188
_cod_original_formula_sum        'Si Li Sc O4'
_cod_database_code               9001724
_amcsd_formula_title             LiScSiO4
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 0.99 GPa
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 81 (1996) 327–334; doi:

data_9001725
_publ_section_title
;High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
 compression Sample: #2, P = 0.99 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              327
_journal_page_last               334
_journal_volume                  81
_journal_year                    1996
_chemical_formula_structural     LiScSiO4
_chemical_formula_sum            'Li O4 Sc Si'
_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                   4.8040
_cell_length_b                   10.4117
_cell_length_c                   5.9533
_cell_formula_units_Z            4
_cell_volume                     297.771
_database_code_amcsd             0001781
_diffrn_ambient_pressure         9.9e+05
_exptl_crystal_density_diffrn    3.212
_cod_original_formula_sum        'Si Li Sc O4'
_cod_database_code               9001725
_amcsd_formula_title             LiScSiO4
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #1, P = 1.46 GPa
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 81 (1996) 327–334; doi:

data_9001726
_publ_section_title
;High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
 compression Sample: #1, P = 1.46 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              327
_journal_page_last               334
_journal_volume                  81
_journal_year                    1996
_chemical_formula_structural     LiScSiO4
_chemical_formula_sum            'Li O4 Sc Si'
_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                   4.7996
_cell_length_b                   10.3925
_cell_length_c                   5.9443
_cell_formula_units_Z            4
_cell_volume                     296.501
_database_code_amcsd             0001782
_diffrn_ambient_pressure         1.46e+06
_exptl_crystal_density_diffrn    3.225
_cod_original_formula_sum        'Si Li Sc O4'
_cod_database_code               9001726
_amcsd_formula_title             LiScSiO4
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 2.17 GPa
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 81 (1996) 327–334; doi:

data_9001727
_publ_section_title
;High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
 compression Sample: #2, P = 2.17 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              327
_journal_page_last               334
_journal_volume                  81
_journal_year                    1996
_chemical_formula_structural     LiScSiO4
_chemical_formula_sum            'Li O4 Sc Si'
_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                   4.7918
_cell_length_b                   10.3784
_cell_length_c                   5.9365
_cell_formula_units_Z            4
_cell_volume                     295.229
_database_code_amcsd             0001783
_diffrn_ambient_pressure         2.17e+06
_exptl_crystal_density_diffrn    3.239
_cod_original_formula_sum        'Si Li Sc O4'
_cod_database_code               9001727
_amcsd_formula_title             LiScSiO4
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 3.02 GPa
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 81 (1996) 327–334; doi:

data_9001728
_publ_section_title
;High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
 compression Sample: #2, P = 3.02 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              327
_journal_page_last               334
_journal_volume                  81
_journal_year                    1996
_chemical_formula_structural     LiScSiO4
_chemical_formula_sum            'Li O4 Sc Si'
_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                   4.7802
_cell_length_b                   10.3514
_cell_length_c                   5.9224
_cell_formula_units_Z            4
_cell_volume                     293.051
_database_code_amcsd             0001784
_diffrn_ambient_pressure         3.02e+06
_exptl_crystal_density_diffrn    3.263
_cod_original_formula_sum        'Si Li Sc O4'
_cod_database_code               9001728
_amcsd_formula_title             LiScSiO4
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 3.72 GPa
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 81 (1996) 327–334; doi:

data_9001729
_publ_section_title
;High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
 compression Sample: #2, P = 3.72 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              327
_journal_page_last               334
_journal_volume                  81
_journal_year                    1996
_chemical_formula_structural     LiScSiO4
_chemical_formula_sum            'Li O4 Sc Si'
_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                   4.7717
_cell_length_b                   10.3320
_cell_length_c                   5.9128
_cell_formula_units_Z            4
_cell_volume                     291.508
_database_code_amcsd             0001785
_diffrn_ambient_pressure         3.72e+06
_exptl_crystal_density_diffrn    3.281
_cod_original_formula_sum        'Si Li Sc O4'
_cod_database_code               9001729
_amcsd_formula_title             LiScSiO4
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 4.51 GPa
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 81 (1996) 327–334; doi:

data_9001730
_publ_section_title
;High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
 compression Sample: #2, P = 4.51 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              327
_journal_page_last               334
_journal_volume                  81
_journal_year                    1996
_chemical_formula_structural     LiScSiO4
_chemical_formula_sum            'Li O4 Sc Si'
_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                   4.7611
_cell_length_b                   10.3072
_cell_length_c                   5.9006
_cell_formula_units_Z            4
_cell_volume                     289.564
_database_code_amcsd             0001786
_diffrn_ambient_pressure         4.51e+06
_exptl_crystal_density_diffrn    3.303
_cod_original_formula_sum        'Si Li Sc O4'
_cod_database_code               9001730
_amcsd_formula_title             LiScSiO4
High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic compression Sample: #2, P = 5.15 GPa
Hazen, R. M.; Downs, R. T.; Finger, L. W.; American Mineralogist 81 (1996) 327–334; doi:

data_9001731
_publ_section_title
;High-pressure crystal chemistry of LiScSiO4: An olivine with nearly isotropic
 compression Sample: #2, P = 5.15 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              327
_journal_page_last               334
_journal_volume                  81
_journal_year                    1996
_chemical_formula_structural     LiScSiO4
_chemical_formula_sum            'Li O4 Sc Si'
_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                   4.7535
_cell_length_b                   10.2864
_cell_length_c                   5.8895
_cell_formula_units_Z            4
_cell_volume                     287.975
_database_code_amcsd             0001787
_diffrn_ambient_pressure         5.15e+06
_exptl_crystal_density_diffrn    3.321
_cod_original_formula_sum        'Si Li Sc O4'
_cod_database_code               9001731
_amcsd_formula_title             LiScSiO4
Crystal structure of a P2_1/m ferromagnesian cummingtonite at 140 K T = 140 K
Yang, H.; Smyth, J. R.; American Mineralogist 81 (1996) 363–368; doi:

data_9001732
_publ_section_title
;
 Crystal structure of a P2_1/m ferromagnesian cummingtonite at 140 K
 T = 140 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              363
_journal_page_last               368
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Fe2.559 Mg4.441 O24 Si8'
_chemical_name_mineral           Cummingtonite
_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                 102.11
_cell_angle_gamma                90
_cell_length_a                   9.492
_cell_length_b                   18.093
_cell_length_c                   5.292
_cell_formula_units_Z            2
_cell_volume                     888.617
_database_code_amcsd             0001788
_diffrn_ambient_temperature      140
_exptl_crystal_density_diffrn    3.212
_cod_original_formula_sum        '(Mg4.441 Fe2.559) Si8 O24'
_cod_database_code               9001732
Crystal structure of a P2_1/m ferromagnesian cummingtonite at 140 K T = 295 K
Yang, H.; Smyth, J. R.; American Mineralogist 81 (1996) 363–368; doi:

data_9001733
_publ_section_title
;
 Crystal structure of a P2_1/m ferromagnesian cummingtonite at 140 K
 T = 295 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              363
_journal_page_last               368
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Fe2.559 Mg4.441 O24 Si8'
_chemical_name_mineral           Cummingtonite
_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                 102.07
_cell_angle_gamma                90
_cell_length_a                   9.502
_cell_length_b                   18.126
_cell_length_c                   5.309
_cell_formula_units_Z            2
_cell_volume                     894.172
_database_code_amcsd             0001789
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    3.192
_cod_original_formula_sum        '(Mg4.441 Fe2.559) Si8 O24'
_cod_database_code               9001733
Medenbachite, Bi2Fe(Cu,Fe)(O,OH)2(OH)2(AsO4)2, a new mineral species: Its description and crystal structure Sample: 8.0.376, single Bi atom model
Krause, W.; Bernhardt, H. J.; Gebert, W.; Graetsch, H.; Belendorff, K.; Petitjean, K.; American Mineralogist 81 (1996) 505–512; doi:

data_9001734
_publ_section_title
;
 Medenbachite, Bi2Fe(Cu,Fe)(O,OH)2(OH)2(AsO4)2, a new mineral species: Its
 description and crystal structure
 Sample: 8.0.376, single Bi atom model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              505
_journal_page_last               512
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'As2 Bi2 Cu0.88 Fe1.12 O12'
_chemical_name_mineral           Medenbachite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.29
_cell_angle_beta                 99.93
_cell_angle_gamma                94.85
_cell_length_a                   4.581
_cell_length_b                   6.178
_cell_length_c                   8.969
_cell_formula_units_Z            1
_cell_volume                     248.102
_database_code_amcsd             0001790
_exptl_crystal_density_diffrn    5.878
_cod_original_formula_sum        'Bi2 Fe1.12 Cu.88 As2 O12'
_cod_database_code               9001734
Medenbachite, Bi2Fe(Cu,Fe)(O,OH)2(OH)2(AsO4)2, a new mineral species: Its description and crystal structure Sample: 8.0.376, split Bi atom model
Krause, W.; Bernhardt, H. J.; Gebert, W.; Graetsch, H.; Belendorff, K.; Petitjean, K.; American Mineralogist 81 (1996) 505–512; doi:

data_9001735
_publ_section_title
;
 Medenbachite, Bi2Fe(Cu,Fe)(O,OH)2(OH)2(AsO4)2, a new mineral species: Its
 description and crystal structure
 Sample: 8.0.376, split Bi atom model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              505
_journal_page_last               512
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'As2 Bi2 Cu0.88 Fe1.12 O12'
_chemical_name_mineral           Medenbachite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.29
_cell_angle_beta                 99.93
_cell_angle_gamma                94.85
_cell_length_a                   4.581
_cell_length_b                   6.178
_cell_length_c                   8.969
_cell_formula_units_Z            1
_cell_volume                     248.102
_database_code_amcsd             0001791
_exptl_crystal_density_diffrn    5.878
_cod_original_formula_sum        'Bi2 Fe1.12 Cu.88 As2 O12'
_cod_database_code               9001735
A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman spectroscopic study of malayaite, CaSnSiO5
Groat, L. A.; Kek, S.; Bismayer, U.; Schmidt, C.; Krane, H. G.; Meyer, H.; Nistor, L.; Van Tendeloo, G.; American Mineralogist 81 (1996) 595–602; doi:

data_9001736
_publ_section_title
;
 A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman
 spectroscopic study of malayaite, CaSnSiO5
;
_journal_name_full               'American Mineralogist'
_journal_page_first              595
_journal_page_last               602
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Ca O5 Si Sn'
_chemical_name_mineral           Malayaite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.342
_cell_angle_gamma                90
_cell_length_a                   7.1535
_cell_length_b                   8.8933
_cell_length_c                   6.6674
_cell_formula_units_Z            4
_cell_volume                     389.453
_database_code_amcsd             0001792
_exptl_crystal_density_diffrn    4.552
_cod_original_formula_sum        'Si Sn Ca O5'
_cod_database_code               9001736