LMucko/crystallography-open-database huggingface dataset:
Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures
Liferovich, R. P.; Mitchell, R. H.; Physics and Chemistry of Minerals 32 (2005) 442–449; doi:10.1007/s00269-005-0020-7

data_9007388
_publ_section_title
;
 Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn:
 synthesis and crystal structures
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              442
_journal_page_last               449
_journal_paper_doi               10.1007/s00269-005-0020-7
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Mg0.5 Ni0.5 O3 Ti'
_chemical_name_mineral           Geikielite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.0418
_cell_length_b                   5.0418
_cell_length_c                   13.8494
_cell_formula_units_Z            6
_cell_volume                     304.883
_database_code_amcsd             0008981
_exptl_crystal_density_diffrn    4.489
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        '(Ni.5 Mg.5) Ti O3'
_cod_database_code               9007388
Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures
Liferovich, R. P.; Mitchell, R. H.; Physics and Chemistry of Minerals 32 (2005) 442–449; doi:10.1007/s00269-005-0020-7

data_9007389
_publ_section_title
;
 Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn:
 synthesis and crystal structures
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              442
_journal_page_last               449
_journal_paper_doi               10.1007/s00269-005-0020-7
_journal_volume                  32
_journal_year                    2005
_chemical_formula_structural     NiTiO3
_chemical_formula_sum            'Ni O3 Ti'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.0321
_cell_length_b                   5.0321
_cell_length_c                   13.7924
_cell_formula_units_Z            6
_cell_volume                     302.461
_database_code_amcsd             0008982
_exptl_crystal_density_diffrn    5.092
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ni Ti O3'
_cod_database_code               9007389
_amcsd_formula_title             NiTiO3
The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr100
Ellemann-Olesen R; Malcherek, T.; Physics and Chemistry of Minerals 32 (2005) 531–545; doi:10.1007/s00269-005-0019-0

data_9007390
_publ_section_title
;
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr100
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              531
_journal_page_last               545
_journal_paper_doi               10.1007/s00269-005-0019-0
_journal_volume                  32
_journal_year                    2005
_chemical_formula_structural     SrTiOGeO4
_chemical_formula_sum            'Ge O5 Sr Ti'
_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                 113.510
_cell_angle_gamma                90
_cell_length_a                   7.2252
_cell_length_b                   9.0754
_cell_length_c                   6.7851
_cell_formula_units_Z            4
_cell_volume                     407.978
_database_code_amcsd             0008990
_exptl_crystal_density_diffrn    4.691
_cod_original_formula_sum        'Sr Ti Ge O5'
_cod_database_code               9007390
_amcsd_formula_title             SrTiOGeO4
The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr90
Ellemann-Olesen R; Malcherek, T.; Physics and Chemistry of Minerals 32 (2005) 531–545; doi:10.1007/s00269-005-0019-0

data_9007391
_publ_section_title
;
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr90
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              531
_journal_page_last               545
_journal_paper_doi               10.1007/s00269-005-0019-0
_journal_volume                  32
_journal_year                    2005
_chemical_formula_structural     Ca.1Sr.9TiOGeO4
_chemical_formula_sum            'Ca0.076 Ge O5 Sr0.923 Ti'
_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                 113.520
_cell_angle_gamma                90
_cell_length_a                   7.2125
_cell_length_b                   9.0557
_cell_length_c                   6.7692
_cell_formula_units_Z            4
_cell_volume                     405.394
_database_code_amcsd             0008991
_exptl_crystal_density_diffrn    4.660
_cod_original_formula_sum        'Sr.923 Ca.076 Ti Ge O5'
_cod_database_code               9007391
_amcsd_formula_title             Ca.1Sr.9TiOGeO4
The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr70
Ellemann-Olesen R; Malcherek, T.; Physics and Chemistry of Minerals 32 (2005) 531–545; doi:10.1007/s00269-005-0019-0

data_9007392
_publ_section_title
;
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr70
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              531
_journal_page_last               545
_journal_paper_doi               10.1007/s00269-005-0019-0
_journal_volume                  32
_journal_year                    2005
_chemical_formula_structural     Ca.3Sr.7TiOGeO4
_chemical_formula_sum            'Ca0.3 Ge O5 Sr0.699 Ti'
_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                 113.593
_cell_angle_gamma                90
_cell_length_a                   7.1916
_cell_length_b                   9.0134
_cell_length_c                   6.7387
_cell_formula_units_Z            4
_cell_volume                     400.296
_database_code_amcsd             0008992
_exptl_crystal_density_diffrn    4.542
_cod_original_formula_sum        'Sr.699 Ca.3 Ti Ge O5'
_cod_database_code               9007392
_amcsd_formula_title             Ca.3Sr.7TiOGeO4
The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr60
Ellemann-Olesen R; Malcherek, T.; Physics and Chemistry of Minerals 32 (2005) 531–545; doi:10.1007/s00269-005-0019-0

data_9007393
_publ_section_title
;
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr60
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              531
_journal_page_last               545
_journal_paper_doi               10.1007/s00269-005-0019-0
_journal_volume                  32
_journal_year                    2005
_chemical_formula_structural     Ca.4Sr.6TiOGeO4
_chemical_formula_sum            'Ca0.389 Ge O5 Sr0.61 Ti'
_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                 113.647
_cell_angle_gamma                90
_cell_length_a                   7.1929
_cell_length_b                   8.9996
_cell_length_c                   6.7295
_cell_formula_units_Z            4
_cell_volume                     399.045
_database_code_amcsd             0008993
_exptl_crystal_density_diffrn    4.486
_cod_original_formula_sum        'Sr.61 Ca.389 Ti Ge O5'
_cod_database_code               9007393
_amcsd_formula_title             Ca.4Sr.6TiOGeO4
The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr50
Ellemann-Olesen R; Malcherek, T.; Physics and Chemistry of Minerals 32 (2005) 531–545; doi:10.1007/s00269-005-0019-0

data_9007394
_publ_section_title
;
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr50
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              531
_journal_page_last               545
_journal_paper_doi               10.1007/s00269-005-0019-0
_journal_volume                  32
_journal_year                    2005
_chemical_formula_structural     Ca.5Sr.5TiOGeO4
_chemical_formula_sum            'Ca0.507 Ge O5 Sr0.492 Ti'
_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                 113.658
_cell_angle_gamma                90
_cell_length_a                   7.1779
_cell_length_b                   8.9752
_cell_length_c                   6.7105
_cell_formula_units_Z            4
_cell_volume                     395.978
_database_code_amcsd             0008994
_exptl_crystal_density_diffrn    4.427
_cod_original_formula_sum        'Sr.492 Ca.507 Ti Ge O5'
_cod_database_code               9007394
_amcsd_formula_title             Ca.5Sr.5TiOGeO4
The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr40
Ellemann-Olesen R; Malcherek, T.; Physics and Chemistry of Minerals 32 (2005) 531–545; doi:10.1007/s00269-005-0019-0

data_9007395
_publ_section_title
;
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr40
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              531
_journal_page_last               545
_journal_paper_doi               10.1007/s00269-005-0019-0
_journal_volume                  32
_journal_year                    2005
_chemical_formula_structural     Ca.6Sr.4TiOGeO4
_chemical_formula_sum            'Ca0.593 Ge O5 Sr0.406 Ti'
_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                 113.708
_cell_angle_gamma                90
_cell_length_a                   7.1757
_cell_length_b                   8.9564
_cell_length_c                   6.6988
_cell_formula_units_Z            4
_cell_volume                     394.188
_database_code_amcsd             0008995
_exptl_crystal_density_diffrn    4.378
_cod_original_formula_sum        'Sr.406 Ca.593 Ti Ge O5'
_cod_database_code               9007395
_amcsd_formula_title             Ca.6Sr.4TiOGeO4
The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr30
Ellemann-Olesen R; Malcherek, T.; Physics and Chemistry of Minerals 32 (2005) 531–545; doi:10.1007/s00269-005-0019-0

data_9007396
_publ_section_title
;
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr30
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              531
_journal_page_last               545
_journal_paper_doi               10.1007/s00269-005-0019-0
_journal_volume                  32
_journal_year                    2005
_chemical_formula_structural     Ca.7Sr.3TiOGeO4
_chemical_formula_sum            'Ca0.713 Ge O5 Sr0.286 Ti'
_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                 113.724
_cell_angle_gamma                90
_cell_length_a                   7.1677
_cell_length_b                   8.9408
_cell_length_c                   6.6869
_cell_formula_units_Z            4
_cell_volume                     392.317
_database_code_amcsd             0008996
_exptl_crystal_density_diffrn    4.302
_cod_original_formula_sum        'Sr.286 Ca.713 Ti Ge O5'
_cod_database_code               9007396
_amcsd_formula_title             Ca.7Sr.3TiOGeO4
The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr10
Ellemann-Olesen R; Malcherek, T.; Physics and Chemistry of Minerals 32 (2005) 531–545; doi:10.1007/s00269-005-0019-0

data_9007397
_publ_section_title
;
 The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4
 Note: titanite-type structure
 Sample: Sr10
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              531
_journal_page_last               545
_journal_paper_doi               10.1007/s00269-005-0019-0
_journal_volume                  32
_journal_year                    2005
_chemical_formula_structural     Ca.9Sr.1TiOGeO4
_chemical_formula_sum            'Ca0.903 Ge O5 Sr0.096 Ti'
_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                 113.766
_cell_angle_gamma                90
_cell_length_a                   7.1580
_cell_length_b                   8.9075
_cell_length_c                   6.6630
_cell_formula_units_Z            4
_cell_volume                     388.806
_database_code_amcsd             0008997
_exptl_crystal_density_diffrn    4.187
_cod_original_formula_sum        'Sr.096 Ca.903 Ti Ge O5'
_cod_database_code               9007397
_amcsd_formula_title             Ca.9Sr.1TiOGeO4
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Sample: P = .0001 GPa
Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T; Physics and Chemistry of Minerals 32 (2005) 578–584; doi:10.1007/s00269-005-0033-2

data_9007398
_publ_section_title
;
 Crystal structure and cation lone electron pair activity
 of Bi2S3 between 0 and 10 GPa
 Sample: P = .0001 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              578
_journal_page_last               584
_journal_paper_doi               10.1007/s00269-005-0033-2
_journal_volume                  32
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 S3'
_chemical_name_mineral           Bismuthinite
_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_length_a                   11.269
_cell_length_b                   3.9717
_cell_length_c                   11.129
_cell_formula_units_Z            4
_cell_volume                     498.102
_database_code_amcsd             0009004
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    6.856
_cod_database_code               9007398
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = .97 GPa
Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T; Physics and Chemistry of Minerals 32 (2005) 578–584; doi:10.1007/s00269-005-0033-2

data_9007399
_publ_section_title
;Crystal structure and cation lone electron pair activity of Bi2S3 between 0
 and 10 GPa Locality: synthetic Sample: P = .97 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              578
_journal_page_last               584
_journal_paper_doi               10.1007/s00269-005-0033-2
_journal_volume                  32
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 S3'
_chemical_name_mineral           Bismuthinite
_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_length_a                   11.136
_cell_length_b                   3.9574
_cell_length_c                   11.035
_cell_formula_units_Z            4
_cell_volume                     486.308
_database_code_amcsd             0009005
_diffrn_ambient_pressure         9.7e+05
_exptl_crystal_density_diffrn    7.023
_cod_database_code               9007399
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 2.43 GPa
Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T; Physics and Chemistry of Minerals 32 (2005) 578–584; doi:10.1007/s00269-005-0033-2

data_9007400
_publ_section_title
;Crystal structure and cation lone electron pair activity of Bi2S3 between 0
 and 10 GPa Locality: synthetic Sample: P = 2.43 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              578
_journal_page_last               584
_journal_paper_doi               10.1007/s00269-005-0033-2
_journal_volume                  32
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 S3'
_chemical_name_mineral           Bismuthinite
_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_length_a                   10.987
_cell_length_b                   3.9353
_cell_length_c                   10.903
_cell_formula_units_Z            4
_cell_volume                     471.415
_database_code_amcsd             0009006
_diffrn_ambient_pressure         2.43e+06
_exptl_crystal_density_diffrn    7.244
_cod_database_code               9007400
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 3.53 GPa
Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T; Physics and Chemistry of Minerals 32 (2005) 578–584; doi:10.1007/s00269-005-0033-2

data_9007401
_publ_section_title
;Crystal structure and cation lone electron pair activity of Bi2S3 between 0
 and 10 GPa Locality: synthetic Sample: P = 3.53 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              578
_journal_page_last               584
_journal_paper_doi               10.1007/s00269-005-0033-2
_journal_volume                  32
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 S3'
_chemical_name_mineral           Bismuthinite
_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_length_a                   10.907
_cell_length_b                   3.9191
_cell_length_c                   10.822
_cell_formula_units_Z            4
_cell_volume                     462.593
_database_code_amcsd             0009007
_diffrn_ambient_pressure         3.53e+06
_exptl_crystal_density_diffrn    7.383
_cod_database_code               9007401
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 5.92 GPa
Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T; Physics and Chemistry of Minerals 32 (2005) 578–584; doi:10.1007/s00269-005-0033-2

data_9007402
_publ_section_title
;Crystal structure and cation lone electron pair activity of Bi2S3 between 0
 and 10 GPa Locality: synthetic Sample: P = 5.92 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              578
_journal_page_last               584
_journal_paper_doi               10.1007/s00269-005-0033-2
_journal_volume                  32
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 S3'
_chemical_name_mineral           Bismuthinite
_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_length_a                   10.758
_cell_length_b                   3.8833
_cell_length_c                   10.650
_cell_formula_units_Z            4
_cell_volume                     444.920
_database_code_amcsd             0009008
_diffrn_ambient_pressure         5.92e+06
_exptl_crystal_density_diffrn    7.676
_cod_database_code               9007402
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 7.22 GPa
Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T; Physics and Chemistry of Minerals 32 (2005) 578–584; doi:10.1007/s00269-005-0033-2

data_9007403
_publ_section_title
;Crystal structure and cation lone electron pair activity of Bi2S3 between 0
 and 10 GPa Locality: synthetic Sample: P = 7.22 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              578
_journal_page_last               584
_journal_paper_doi               10.1007/s00269-005-0033-2
_journal_volume                  32
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 S3'
_chemical_name_mineral           Bismuthinite
_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_length_a                   10.701
_cell_length_b                   3.8655
_cell_length_c                   10.565
_cell_formula_units_Z            4
_cell_volume                     437.018
_database_code_amcsd             0009009
_diffrn_ambient_pressure         7.22e+06
_exptl_crystal_density_diffrn    7.815
_cod_database_code               9007403
Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 8.30 GPa
Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T; Physics and Chemistry of Minerals 32 (2005) 578–584; doi:10.1007/s00269-005-0033-2

data_9007404
_publ_section_title
;Crystal structure and cation lone electron pair activity of Bi2S3 between 0
 and 10 GPa Locality: synthetic Sample: P = 8.30 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              578
_journal_page_last               584
_journal_paper_doi               10.1007/s00269-005-0033-2
_journal_volume                  32
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 S3'
_chemical_name_mineral           Bismuthinite
_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_length_a                   10.659
_cell_length_b                   3.8525
_cell_length_c                   10.510
_cell_formula_units_Z            4
_cell_volume                     431.581
_database_code_amcsd             0009010
_diffrn_ambient_pressure         8.3e+06
_exptl_crystal_density_diffrn    7.913
_cod_database_code               9007404