# generated using pymatgen data_Mn3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06985000 _cell_length_b 9.72508000 _cell_length_c 9.95322200 _cell_angle_alpha 90.00001165 _cell_angle_beta 89.99996982 _cell_angle_gamma 89.99999411 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3O4 _chemical_formula_sum 'Mn12 O16' _cell_volume 297.14883286 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.29546000 0.75000100 0.14334100 1.0 Mn Mn1 1 0.29543900 0.24999900 0.35665800 1.0 Mn Mn2 1 0.78487000 0.42999500 0.11421000 1.0 Mn Mn3 1 0.78486800 0.57000600 0.38579100 1.0 Mn Mn4 1 0.78486700 0.07000600 0.11420900 1.0 Mn Mn5 1 0.78486600 0.92999400 0.38579100 1.0 Mn Mn6 1 0.70456500 0.25000100 0.85664500 1.0 Mn Mn7 1 0.70455500 0.75000000 0.64336300 1.0 Mn Mn8 1 0.21514400 0.42999800 0.61422900 1.0 Mn Mn9 1 0.21513300 0.93000000 0.88576900 1.0 Mn Mn10 1 0.21513900 0.57000000 0.88577000 1.0 Mn Mn11 1 0.21513900 0.07000200 0.61423000 1.0 O O12 1 0.36528800 0.50000000 0.25000000 1.0 O O13 1 0.36528600 0.00000000 0.25000000 1.0 O O14 1 0.63472400 0.99999900 0.74999900 1.0 O O15 1 0.63472600 0.50000000 0.75000000 1.0 O O16 1 0.20502900 0.75000000 0.79863900 1.0 O O17 1 0.79498400 0.75000000 0.29863700 1.0 O O18 1 0.20503300 0.25000000 0.70136200 1.0 O O19 1 0.79497800 0.25000000 0.20136200 1.0 O O20 1 0.79265600 0.11180600 0.47074800 1.0 O O21 1 0.79265800 0.61180600 0.02925100 1.0 O O22 1 0.79265700 0.38819400 0.47074800 1.0 O O23 1 0.20731800 0.88819800 0.52925800 1.0 O O24 1 0.20732000 0.61180200 0.52925700 1.0 O O25 1 0.20731800 0.11180300 0.97074200 1.0 O O26 1 0.20731900 0.38819700 0.97074200 1.0 O O27 1 0.79265700 0.88819400 0.02925100 1.0