# generated using pymatgen data_Mn3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99805600 _cell_length_b 14.63048200 _cell_length_c 10.46713300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3O4 _chemical_formula_sum 'Mn12 O16' _cell_volume 459.11990024 _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 0.25052900 0.97106400 0.11711300 1.0 Mn Mn1 1 0.82242400 0.25000000 0.76714400 1.0 Mn Mn2 1 0.25052900 0.02893600 0.38288700 1.0 Mn Mn3 1 0.74947100 0.97106400 0.61711300 1.0 Mn Mn4 1 0.25052900 0.52893600 0.11711300 1.0 Mn Mn5 1 0.74947100 0.47106400 0.88288700 1.0 Mn Mn6 1 0.74947100 0.02893600 0.88288700 1.0 Mn Mn7 1 0.74947100 0.52893600 0.61711300 1.0 Mn Mn8 1 0.17757600 0.75000000 0.23285600 1.0 Mn Mn9 1 0.25052900 0.47106400 0.38288700 1.0 Mn Mn10 1 0.17757600 0.25000000 0.26714400 1.0 Mn Mn11 1 0.82242400 0.75000000 0.73285600 1.0 O O12 1 0.75072700 0.91927600 0.02503700 1.0 O O13 1 0.75072700 0.41927600 0.47496300 1.0 O O14 1 0.24857900 0.00000000 0.75000000 1.0 O O15 1 0.24857900 0.50000000 0.75000000 1.0 O O16 1 0.75072700 0.08072400 0.47496300 1.0 O O17 1 0.32302500 0.75000000 0.83081400 1.0 O O18 1 0.67697500 0.75000000 0.33081400 1.0 O O19 1 0.24927300 0.08072400 0.97496300 1.0 O O20 1 0.24927300 0.58072400 0.52503700 1.0 O O21 1 0.24927300 0.91927600 0.52503700 1.0 O O22 1 0.75072700 0.58072400 0.02503700 1.0 O O23 1 0.67697500 0.25000000 0.16918600 1.0 O O24 1 0.24927300 0.41927600 0.97496300 1.0 O O25 1 0.32302500 0.25000000 0.66918600 1.0 O O26 1 0.75142100 0.50000000 0.25000000 1.0 O O27 1 0.75142100 0.00000000 0.25000000 1.0