# generated using pymatgen data_Mn3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16011600 _cell_length_b 10.58193400 _cell_length_c 12.13025614 _cell_angle_alpha 89.97518337 _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 405.63741263 _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 0.00000000 0.12438900 0.04641700 1.0 Mn Mn1 1 0.00000000 0.97729100 0.74984100 1.0 Mn Mn2 1 0.00000000 0.37574900 0.96198800 1.0 Mn Mn3 1 0.50000000 0.62529100 0.03475600 1.0 Mn Mn4 1 0.00000000 0.11991600 0.45198900 1.0 Mn Mn5 1 0.50000000 0.88021200 0.54867800 1.0 Mn Mn6 1 0.50000000 0.88146600 0.95530300 1.0 Mn Mn7 1 0.50000000 0.62585000 0.46313800 1.0 Mn Mn8 1 0.50000000 0.03277600 0.25137000 1.0 Mn Mn9 1 0.00000000 0.37387300 0.52999600 1.0 Mn Mn10 1 0.50000000 0.43805000 0.75123300 1.0 Mn Mn11 1 0.00000000 0.54602100 0.24820900 1.0 O O12 1 0.50000000 0.00929400 0.09674800 1.0 O O13 1 0.50000000 0.47570600 0.59725500 1.0 O O14 1 0.00000000 0.75309400 0.99379100 1.0 O O15 1 0.00000000 0.75148900 0.50839700 1.0 O O16 1 0.50000000 0.48524500 0.90212900 1.0 O O17 1 0.50000000 0.63900900 0.24862800 1.0 O O18 1 0.00000000 0.12890200 0.25448900 1.0 O O19 1 0.00000000 0.99737200 0.90541800 1.0 O O20 1 0.00000000 0.51568800 0.40340900 1.0 O O21 1 0.00000000 0.51485100 0.09394200 1.0 O O22 1 0.50000000 0.00263000 0.40462200 1.0 O O23 1 0.00000000 0.34495200 0.76036400 1.0 O O24 1 0.00000000 0.99956500 0.59515200 1.0 O O25 1 0.50000000 0.88145400 0.74751400 1.0 O O26 1 0.50000000 0.24876200 0.48743200 1.0 O O27 1 0.50000000 0.25110100 0.00779200 1.0