LMucko/crystallography-open-database huggingface dataset:
Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit
Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano; The Journal of Physical Chemistry C 118 (2014) 7458–; doi:10.1021/jp5005133

data_1514184
_publ_section_title
;
 Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built
 with Only the Three-Ring Unit
;
_journal_issue                   14
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              7458
_journal_paper_doi               10.1021/jp5005133
_journal_volume                  118
_journal_year                    2014
_chemical_formula_sum            'C6 Al K0.883 O7.255 Si2'
_chemical_formula_weight         305.808
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_method           'from EXP file using GSAS2CIF'
_cell_angle_alpha                90.000
_cell_angle_beta                 109.924(2)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   10.8310(3)
_cell_length_b                   10.4782(4)
_cell_length_c                   10.6059(4)
_cell_volume                     1131.61(7)
_cod_data_source_file            jp5005133_si_002.cif
_cod_data_source_block           ECS-17_as_synthesized
_cod_depositor_comments
;Adding full bibliography for
 ./tmp-cod-update-bibliographies-10461/cifs/1514184.cif.
;
_cod_original_cell_volume        1131.6(1)
_cod_original_sg_symbol_Hall     -P_2yab
_cod_original_formula_sum        'Al Si2 O7.255 K0.883 C6'
_cod_database_code               1514184
New refinement of Ni~5.20~Sn~8.7~Zn~4.16~Cu~1.04~ and its non-isotypy with Ni~2~Sn~2~Zn
Schmetterer, Clemens; Flandorfer, Hans; Effenberger, Herta Silvia; Acta Crystallographica Section C 70 (2014) 348–350; doi:10.1107/S2053229614003660

data_2019464
_publ_section_title
;
 New refinement of Ni~5.20~Sn~8.7~Zn~4.16~Cu~1.04~ and its non-isotypy
 with Ni~2~Sn~2~Zn
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              348
_journal_page_last               350
_journal_paper_doi               10.1107/S2053229614003660
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          'Ni5.25 Sn8.7 Zn4.16 Cu1.04'
_chemical_formula_moiety         'Cu1.04 Ni5.20 Sn8.7 Zn4.16'
_chemical_formula_sum            'Cu1.04 Ni5.2 Sn8.7 Zn4.16'
_chemical_formula_weight         1676.1
_chemical_name_systematic
;
Pentanickel nonatin tetrazinc copper
;
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.8540(10)
_cell_length_b                   8.8540(10)
_cell_length_c                   8.8540(10)
_cell_volume                     694.09(14)
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_diffrn_measured_fraction_theta_full 0.729
_diffrn_measured_fraction_theta_max 0.729
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_sigmaI/netI    0.1424
_diffrn_reflns_theta_full        39.77
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1474
_refine_diff_density_max         4.366
_refine_diff_density_min         -5.753
_refine_ls_extinction_expression none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_matrix_type           full
_refine_ls_number_parameters     24
_refine_ls_number_reflns         355
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0601
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1974
_refine_ls_wR_factor_ref         0.1974
_reflns_number_gt                355
_reflns_threshold_expression     >4.87sigma(Fo)
_cod_data_source_file            eg3148sup1.cf
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P m -3m'
_cod_original_formula_sum        'Cu1.04 Ni5.20 Sn8.7 Zn4.16'
_cod_database_code               2019464
New Perovskite-Related Structure Family of Oxide-Ion Conducting Materials NdBaInO4
Fujii, Kotaro; Esaki, Yuichi; Omoto, Kazuki; Yashima, Masatomo; Hoshikawa, Akinori; Ishigaki, Toru; Hester, James R.; Chemistry of Materials 26 (2014) 2488–; doi:10.1021/cm500776x

data_4001934
_publ_section_title
;
 New Perovskite-Related Structure Family of Oxide-Ion Conducting Materials
 NdBaInO4
;
_journal_issue                   8
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2488
_journal_paper_doi               10.1021/cm500776x
_journal_volume                  26
_journal_year                    2014
_chemical_formula_analytical     'Nd Ba In O4'
_chemical_formula_moiety         'Nd Ba In O4'
_chemical_formula_structural     'Nd Ba In O4'
_chemical_formula_sum            'Ba In Nd O4'
_chemical_formula_weight         460.385
_chemical_name_systematic        NdBaInO4
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2013-12-11
_cell_angle_alpha                90
_cell_angle_beta                 103.404122(270)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.095377(32)
_cell_length_b                   6.049344(18)
_cell_length_c                   8.256195(24)
_cell_volume                     441.890(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_source                   time-of-flight
_diffrn_source_type              J-Parc
_exptl_crystal_density_diffrn    6.92
_exptl_crystal_density_method    'not measured'
_pd_calc_method                  'Rietveld Refinement'
_pd_proc_ls_prof_R_factor        0.03602
_pd_proc_ls_prof_wR_expected     0.03076
_pd_proc_ls_prof_wR_factor       0.04170
_refine_ls_R_factor_all          0.02127
_refine_ls_R_I_factor            0.04392
_cod_data_source_file            cm500776x_si_002.cif
_cod_data_source_block           phase_1
_cod_depositor_comments          'Adding full bibliography for 4001934.cif.'
_cod_original_cell_volume        441.89(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Nd Ba In O4'
_cod_database_code               4001934
Die Koordinationszahl 5 bei Mn(III): Na4 Mn2 O5
Brachtel, G.; Hoppe, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 468 (1980) 130–136; doi:10.1002/zaac.19804680116

data_1514225
_publ_section_title
;
 Die Koordinationszahl 5 bei Mn(III): Na4 Mn2 O5
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
 Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              130
_journal_page_last               136
_journal_paper_doi               10.1002/zaac.19804680116
_journal_volume                  468
_journal_year                    1980
_chemical_formula_structural     'Na4 Mn2 O5'
_chemical_formula_sum            'Mn2 Na4 O5'
_chemical_name_systematic
;
Sodium Phyllo-pentaoxodimanganate(III)
;
_space_group_IT_number           70
_symmetry_Int_Tables_number      70
_symmetry_space_group_name_Hall  'F 2 2 -1d'
_symmetry_space_group_name_H-M   'F d d d :1'
_audit_creation_date             1980/12/31
_audit_update_record             1999/05/18
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   5.721
_cell_length_b                   9.425
_cell_length_c                   19.67
_cell_volume                     1060.615
_refine_ls_R_factor_all          0.018
_cod_data_source_file            'data_Na4Mn2O5melanie.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396616709.53-D290F29E9218B844.cif
_cod_original_cell_volume        1060.61
_cod_original_sg_symbol_H-M      'F d d d S'
_cod_database_code               1514225
The defect structures of Mn1-x O
Radler, M. J.; Cohen, J. B.; Sykora, G. P.; Mason, T.; Ellis, D. E.; Faber, Jr, J.; Journal of Physics and Chemistry of Solids 53 (1992) 141–154; doi:10.1016/0022-3697(92)90022-6

data_1514226
_publ_section_title
;
 The defect structures of Mn1-x O
;
_journal_coden_ASTM              JPCSAW
_journal_issue                   1
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              141
_journal_page_last               154
_journal_paper_doi               10.1016/0022-3697(92)90022-6
_journal_volume                  53
_journal_year                    1992
_chemical_formula_structural     'Mn O'
_chemical_formula_sum            'Mn O'
_chemical_name_systematic        'Manganese Oxide'
_space_group_IT_number           225
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_audit_creation_date             2008/08/01
_audit_update_record             2013/02/01
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.488
_cell_length_b                   4.488
_cell_length_c                   4.488
_cell_volume                     90.398
_refine_ls_R_factor_all          0.032
_cod_data_source_file            'data_MnOmelanie657312.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396616810.66-D290F29E9218B844.cif
_cod_original_cell_volume        90.4
_cod_original_formula_sum        'Mn1 O1'
_cod_database_code               1514226
The crystal structure of ramsdellite, an orthorhombic modification of Mn O2
Bystroem, A. M.; Acta Chemica Scandinavica (1-27,1973-42,1988) 3 (1949) 163–173; doi:10.3891/acta.chem.scand.03-0163

data_1514227
_publ_section_title
;
 The crystal structure of ramsdellite, an orthorhombic modification of Mn
 O2
;
_journal_coden_ASTM              ACSAA4
_journal_name_full
;
 Acta Chemica Scandinavica (1-27,1973-42,1988)
;
_journal_page_first              163
_journal_page_last               173
_journal_paper_doi               10.3891/acta.chem.scand.03-0163
_journal_volume                  3
_journal_year                    1949
_chemical_formula_structural     'Mn O2'
_chemical_formula_sum            'Mn O2'
_chemical_name_mineral           Ramsdellite
_chemical_name_systematic        'Manganese(IV) Oxide'
_space_group_IT_number           62
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_creation_date             2008/07/07
_audit_update_record             2009/08/01
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.27(1)
_cell_length_b                   2.866(5)
_cell_length_c                   4.533(5)
_cell_volume                     120.4(3)
_cod_data_source_file            'data_MnO2melanie653914.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396617272.74-D290F29E9218B844.cif
_cod_original_cell_volume        120.43
_cod_original_formula_sum        'Mn1 O2'
_cod_database_code               1514227
Ueber die Kristallstruktur von Hausmannit (Mn Mn2 O4).
Aminoff, G.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 64 (1926) 475–490; doi:

data_8103496
_publ_section_title
;
 Ueber die Kristallstruktur von Hausmannit (Mn Mn2 O4).
;
_journal_name_full
'Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)'
_journal_page_first              475
_journal_page_last               490
_journal_volume                  64
_journal_year                    1926
_chemical_formula_structural     'Mn3 O4'
_chemical_formula_sum            'Mn3 O4'
_chemical_name_systematic        'Manganese Dimanganese(III) Oxide'
_space_group_IT_number           141
_symmetry_Int_Tables_number      141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_audit_creation_date             2008/07/07
_audit_update_record             2009/08/01
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.1600
_cell_length_b                   8.1600
_cell_length_c                   9.4400
_cell_volume                     628.568
_cod_data_source_file            'data_Mn3O4melanie643198.cif'
_cod_data_source_block           1396617547.97-D290F29E9218B844.cif
_cod_original_cell_volume        628.57
_cod_original_sg_symbol_H-M      'I 41/a m d S'
_cod_database_code               8103496
Thermal expansion data: II. Binary oxides with the fluorite and rutile structures, M O2, and the antifluorite structure, M2 O
Taylor, D.; Transactions and Journal of the British Ceramic Society 83 (1984) 32–37; doi:

data_1514228
_publ_section_title
;
 Thermal expansion data: II. Binary oxides with the fluorite and rutile
 structures, M O2, and the antifluorite structure, M2 O
;
_journal_coden_ASTM              TJBCAD
_journal_name_full
;
 Transactions and Journal of the British Ceramic Society
;
_journal_page_first              32
_journal_page_last               37
_journal_volume                  83
_journal_year                    1984
_chemical_formula_structural     'Mn O2'
_chemical_formula_sum            'Mn O2'
_chemical_name_systematic        'Manganese Oxide (1/2)'
_space_group_IT_number           136
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_audit_creation_date             2012/08/01
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   4.397
_cell_length_b                   4.397
_cell_length_c                   2.869
_cell_volume                     55.468
_cod_data_source_file            'data_MnO2melanie643197.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396617643.27-D290F29E9218B844.cif
_cod_original_cell_volume        55.47
_cod_original_formula_sum        'Mn1 O2'
_cod_database_code               1514228
Thermal expansion data: I. Binary oxides with the sodium chloride and wurtzite structure, M O
Taylor, D.; Transactions and Journal of the British Ceramic Society 83 (1984) 5–9; doi:

data_1514229
_publ_section_title
;
 Thermal expansion data: I. Binary oxides with the sodium chloride and
 wurtzite structure, M O
;
_journal_coden_ASTM              TJBCAD
_journal_name_full
;
 Transactions and Journal of the British Ceramic Society
;
_journal_page_first              5
_journal_page_last               9
_journal_volume                  83
_journal_year                    1984
_chemical_formula_structural     'Mn O'
_chemical_formula_sum            'Mn O'
_chemical_name_mineral           Manganosite
_chemical_name_systematic        'Manganese Oxide'
_space_group_IT_number           225
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_audit_creation_date             2008/08/01
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.4440
_cell_length_b                   4.4440
_cell_length_c                   4.4440
_cell_volume                     87.765
_cod_data_source_file            'data_MnOmelanie643195.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396617750.1-D290F29E9218B844.cif
_cod_original_cell_volume        87.77
_cod_original_formula_sum        'Mn1 O1'
_cod_database_code               1514229
Untersuchungen über die Kristallstrukturen von Sesquioxiden und Verbindungen ABO~3~
Zachariasen, W. H.; Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse  (1928) 1–165; doi:

data_1514230
_publ_section_title
;
 Untersuchungen \"uber die Kristallstrukturen von Sesquioxiden und
 Verbindungen ABO~3~
;
_journal_coden_ASTM              SUNVAQ
_journal_issue                   4
_journal_name_full
;
 Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1:
 Matematisk-Naturvidenskapelig Klasse
;
_journal_page_first              1
_journal_page_last               165
_journal_year                    1928
_chemical_formula_structural     'Mn2 O3'
_chemical_formula_sum            'Mn2 O3'
_chemical_name_mineral           Bixbyite
_chemical_name_systematic        'Manganese Oxide (2/3)'
_space_group_IT_number           206
_symmetry_Int_Tables_number      206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_audit_creation_date             2013/08/01
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   9.41(1)
_cell_length_b                   9.41(1)
_cell_length_c                   9.41(1)
_cell_volume                     833.2(15)
_cod_data_source_file            'data_Mn2O3melanie643194.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396618135.47-D290F29E9218B844.cif
_cod_original_cell_volume        833.24
_cod_database_code               1514230
Geochemische Verteilungsgesetze VI. Ueber die Kristallstrukturen vom Rutiltypus, mit Bemerkungen zur Geochemie zweiwertiger und vierwertiger Elemente
Goldschmidt, V. M.; Barth, T.; Holmsen, D.; Lunde, G.; Zachariasen, W.; Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse 1 (1926) 5–21; doi:

data_1514231
_publ_section_title
;
 Geochemische Verteilungsgesetze VI. Ueber die Kristallstrukturen vom
 Rutiltypus, mit Bemerkungen zur Geochemie zweiwertiger und vierwertiger
 Elemente
;
_journal_coden_ASTM              SUNVAQ
_journal_name_full
;
 Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1:
 Matematisk-Naturvidenskapelig Klasse
;
_journal_page_first              5
_journal_page_last               21
_journal_volume                  1
_journal_year                    1926
_chemical_formula_structural     'Mn O'
_chemical_formula_sum            'Mn O'
_chemical_name_mineral           Manganosite
_chemical_name_systematic        'Manganese Oxide'
_space_group_IT_number           225
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_audit_creation_date             2008/08/01
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.44
_cell_length_b                   4.44
_cell_length_c                   4.44
_cell_volume                     87.528
_cod_data_source_file            'data_MnOmelanie643192.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396618205.22-D290F29E9218B844.cif
_cod_original_cell_volume        87.53
_cod_original_formula_sum        'Mn1 O1'
_cod_database_code               1514231
Sur la structure cristalline des bioxydes de manganèse
Brenet, J.; Comptes Rendus Hebdomadaires des Seances de l`Academie des Sciences (1884 - 1965) 230 (1950) 1360–1362; doi:

data_1514232
_publ_section_title
;
 Sur la structure cristalline des bioxydes de mangan\`ese
;
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l`Academie des Sciences (1884 - 1965)
;
_journal_page_first              1360
_journal_page_last               1362
_journal_volume                  230
_journal_year                    1950
_chemical_formula_structural     'Mn O2'
_chemical_formula_sum            'Mn O2'
_chemical_name_systematic        'Manganese Oxide (1/2)'
_space_group_IT_number           136
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_audit_creation_date             2008/07/07
_audit_update_record             2009/08/01
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   4.3950
_cell_length_b                   4.3950
_cell_length_c                   2.8600
_cell_volume                     55.244
_cod_data_source_file            'data_MnO2melanie643186.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396618390.23-D290F29E9218B844.cif
_cod_original_cell_volume        55.24
_cod_original_formula_sum        'Mn1 O2'
_cod_database_code               1514232
Atomic level study of Li Mn2 O4 as electrode in lithium batteries
Monge, M. A.; Angeles Monge, M.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I.; ChemPhysChem 3 (2002) 367–370; doi:10.1002/1439-7641(20020415)3:4<367::AID-CPHC367>3.0.CO;2-4

data_1514233
_publ_section_title
;
 Atomic level study of Li Mn2 O4 as electrode in lithium batteries
;
_journal_coden_ASTM              CPCHFT
_journal_issue                   4
_journal_name_full               ChemPhysChem
_journal_page_first              367
_journal_page_last               370
_journal_paper_doi
10.1002/1439-7641(20020415)3:4<367::AID-CPHC367>3.0.CO;2-4
_journal_volume                  3
_journal_year                    2002
_chemical_formula_structural     'Mn2.03 O4'
_chemical_formula_sum            'Mn2.03 O4'
_chemical_name_systematic        'Manganese Oxide (2.03/4)'
_space_group_IT_number           227
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             2005/04/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   8.0974(14)
_cell_length_b                   8.0974(14)
_cell_length_c                   8.0974(14)
_cell_volume                     530.93(16)
_refine_ls_R_factor_all          0.045
_cod_data_source_file            'data_Mn2O4melanie412046.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396618473.47-D290F29E9218B844.cif
_cod_original_cell_volume        530.92
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1514233