LMucko/crystallography-open-database huggingface dataset:
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p1 Note: P = 22.50 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017103
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p1
 Note: P = 22.50 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   4.6581
_cell_length_b                   4.6581
_cell_length_c                   14.213
_cell_formula_units_Z            6
_cell_volume                     267.075
_database_code_amcsd             0020342
_diffrn_ambient_pressure         2.25e+07
_exptl_crystal_density_diffrn    4.266
_cod_data_source_file            inputs/fixed/downloads/05/05824.cif
_cod_data_source_block           05824
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017103
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p2 Note: P = 23.65 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017104
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p2
 Note: P = 23.65 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   4.6554
_cell_length_b                   4.6554
_cell_length_c                   14.149
_cell_formula_units_Z            6
_cell_volume                     265.565
_database_code_amcsd             0020343
_diffrn_ambient_pressure         2.365e+07
_exptl_crystal_density_diffrn    4.290
_cod_data_source_file            inputs/fixed/downloads/05/05825.cif
_cod_data_source_block           05825
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017104
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p3 Note: P = 25.34 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017105
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p3
 Note: P = 25.34 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   4.6473
_cell_length_b                   4.6473
_cell_length_c                   14.075
_cell_formula_units_Z            6
_cell_volume                     263.257
_database_code_amcsd             0020344
_diffrn_ambient_pressure         2.534e+07
_exptl_crystal_density_diffrn    4.328
_cod_data_source_file            inputs/fixed/downloads/05/05826.cif
_cod_data_source_block           05826
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017105
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p4 Note: P = 27.45 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017106
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p4
 Note: P = 27.45 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   4.6416
_cell_length_b                   4.6416
_cell_length_c                   13.967
_cell_formula_units_Z            6
_cell_volume                     260.597
_database_code_amcsd             0020345
_diffrn_ambient_pressure         2.745e+07
_exptl_crystal_density_diffrn    4.372
_cod_data_source_file            inputs/fixed/downloads/05/05827.cif
_cod_data_source_block           05827
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017106
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p5 Note: P = 30.48 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017107
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p5
 Note: P = 30.48 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   4.6301
_cell_length_b                   4.6301
_cell_length_c                   13.830
_cell_formula_units_Z            6
_cell_volume                     256.764
_database_code_amcsd             0020346
_diffrn_ambient_pressure         3.048e+07
_exptl_crystal_density_diffrn    4.437
_cod_data_source_file            inputs/fixed/downloads/05/05828.cif
_cod_data_source_block           05828
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017107
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p6 Note: P = 31.19 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017108
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p6
 Note: P = 31.19 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   4.6278
_cell_length_b                   4.6278
_cell_length_c                   13.797
_cell_formula_units_Z            6
_cell_volume                     255.897
_database_code_amcsd             0020347
_diffrn_ambient_pressure         3.119e+07
_exptl_crystal_density_diffrn    4.452
_cod_data_source_file            inputs/fixed/downloads/05/05829.cif
_cod_data_source_block           05829
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017108
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p7 Note: P = 33.56 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017109
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p7
 Note: P = 33.56 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   4.6193
_cell_length_b                   4.6193
_cell_length_c                   13.696
_cell_formula_units_Z            6
_cell_volume                     253.091
_database_code_amcsd             0020348
_diffrn_ambient_pressure         3.356e+07
_exptl_crystal_density_diffrn    4.502
_cod_data_source_file            inputs/fixed/downloads/05/05830.cif
_cod_data_source_block           05830
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017109
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p8 Note: P = 36.20 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017110
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p8
 Note: P = 36.20 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   4.6100
_cell_length_b                   4.6100
_cell_length_c                   13.582
_cell_formula_units_Z            6
_cell_volume                     249.975
_database_code_amcsd             0020349
_diffrn_ambient_pressure         3.62e+07
_exptl_crystal_density_diffrn    4.558
_cod_data_source_file            inputs/fixed/downloads/05/05831.cif
_cod_data_source_block           05831
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017110
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p9 Note: P = 37.58 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017111
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p9
 Note: P = 37.58 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   4.6024
_cell_length_b                   4.6024
_cell_length_c                   13.517
_cell_formula_units_Z            6
_cell_volume                     247.959
_database_code_amcsd             0020350
_diffrn_ambient_pressure         3.758e+07
_exptl_crystal_density_diffrn    4.595
_cod_data_source_file            inputs/fixed/downloads/05/05832.cif
_cod_data_source_block           05832
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017111
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p10 Note: P = 40.80 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017112
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p10
 Note: P = 40.80 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   4.5927
_cell_length_b                   4.5927
_cell_length_c                   13.332
_cell_formula_units_Z            6
_cell_volume                     243.535
_database_code_amcsd             0020351
_diffrn_ambient_pressure         4.08e+07
_exptl_crystal_density_diffrn    4.678
_cod_data_source_file            inputs/fixed/downloads/05/05833.cif
_cod_data_source_block           05833
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017112
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p11 Note: P = 44.46 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017113
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p11
 Note: P = 44.46 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.82
_cell_angle_beta                 94.93
_cell_angle_gamma                90.18
_cell_length_a                   2.936
_cell_length_b                   4.841
_cell_length_c                   5.568
_cell_formula_units_Z            2
_cell_volume                     77.429
_database_code_amcsd             0020352
_diffrn_ambient_pressure         4.446e+07
_exptl_crystal_density_diffrn    4.905
_cod_data_source_file            inputs/fixed/downloads/05/05834.cif
_cod_data_source_block           05834
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017113
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p11a Note: P = 46.79 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017114
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p11a
 Note: P = 46.79 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.71
_cell_angle_beta                 94.99
_cell_angle_gamma                89.90
_cell_length_a                   2.928
_cell_length_b                   4.816
_cell_length_c                   5.545
_cell_formula_units_Z            2
_cell_volume                     76.264
_database_code_amcsd             0020353
_diffrn_ambient_pressure         4.679e+07
_exptl_crystal_density_diffrn    4.980
_cod_data_source_file            inputs/fixed/downloads/05/05835.cif
_cod_data_source_block           05835
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017114
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p12 Note: P = 44.01 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017115
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p12
 Note: P = 44.01 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.87
_cell_angle_beta                 95.29
_cell_angle_gamma                89.73
_cell_length_a                   2.934
_cell_length_b                   4.839
_cell_length_c                   5.557
_cell_formula_units_Z            2
_cell_volume                     76.872
_database_code_amcsd             0020354
_diffrn_ambient_pressure         4.401e+07
_exptl_crystal_density_diffrn    4.940
_cod_data_source_file            inputs/fixed/downloads/05/05836.cif
_cod_data_source_block           05836
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017115
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p13 Note: P = 41.55 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017116
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p13
 Note: P = 41.55 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.99
_cell_angle_beta                 95.58
_cell_angle_gamma                89.65
_cell_length_a                   2.940
_cell_length_b                   4.856
_cell_length_c                   5.584
_cell_formula_units_Z            2
_cell_volume                     77.604
_database_code_amcsd             0020355
_diffrn_ambient_pressure         4.155e+07
_exptl_crystal_density_diffrn    4.894
_cod_data_source_file            inputs/fixed/downloads/05/05837.cif
_cod_data_source_block           05837
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017116
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p14 Note: P = 35.67 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017117
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p14
 Note: P = 35.67 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.78
_cell_angle_beta                 95.09
_cell_angle_gamma                90.45
_cell_length_a                   2.9539
_cell_length_b                   4.843
_cell_length_c                   5.588
_cell_formula_units_Z            2
_cell_volume                     77.921
_database_code_amcsd             0020356
_diffrn_ambient_pressure         3.567e+07
_exptl_crystal_density_diffrn    4.874
_cod_data_source_file            inputs/fixed/downloads/05/05838.cif
_cod_data_source_block           05838
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017117
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p0 Note: P = .0001 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017118
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run2-p0
 Note: P = .0001 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   4.7799
_cell_length_b                   4.7799
_cell_length_c                   15.694
_cell_formula_units_Z            6
_cell_volume                     310.529
_database_code_amcsd             0020357
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.669
_cod_data_source_file            inputs/fixed/downloads/05/05839.cif
_cod_data_source_block           05839
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017118