# generated using pymatgen data_Mn2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.49784800 _cell_length_b 10.55604316 _cell_length_c 10.64553595 _cell_angle_alpha 119.58601001 _cell_angle_beta 89.97732504 _cell_angle_gamma 119.81500921 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2O3 _chemical_formula_sum 'Mn32 O48' _cell_volume 841.82160400 _cell_formula_units_Z 16 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 0.24880300 0.25581000 0.24439000 1.0 Mn Mn1 1 0.75119700 0.74419000 0.75561000 1.0 Mn Mn2 1 0.24962400 0.75291500 0.24550000 1.0 Mn Mn3 1 0.75037600 0.24708500 0.75450000 1.0 Mn Mn4 1 0.74888900 0.75010100 0.24614800 1.0 Mn Mn5 1 0.25111100 0.24989900 0.75385200 1.0 Mn Mn6 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn7 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn8 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn9 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn10 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn11 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn12 1 0.76422700 0.23529800 0.28649600 1.0 Mn Mn13 1 0.23577300 0.76470200 0.71350400 1.0 Mn Mn14 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn15 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn16 1 0.86144500 0.13490500 0.11844400 1.0 Mn Mn17 1 0.13855500 0.86509500 0.88155600 1.0 Mn Mn18 1 0.38729800 0.13758500 0.11676900 1.0 Mn Mn19 1 0.61270200 0.86241500 0.88323100 1.0 Mn Mn20 1 0.86610900 0.60976400 0.11763900 1.0 Mn Mn21 1 0.13389100 0.39023600 0.88236100 1.0 Mn Mn22 1 0.36933000 0.11482600 0.62111100 1.0 Mn Mn23 1 0.63067000 0.88517400 0.37888900 1.0 Mn Mn24 1 0.36588700 0.63326700 0.62012100 1.0 Mn Mn25 1 0.63411300 0.36673300 0.37987900 1.0 Mn Mn26 1 0.88099100 0.63107300 0.61871000 1.0 Mn Mn27 1 0.11900900 0.36892700 0.38129000 1.0 Mn Mn28 1 0.38951000 0.61325500 0.16211800 1.0 Mn Mn29 1 0.61049000 0.38674500 0.83788200 1.0 Mn Mn30 1 0.88610700 0.11567400 0.65248800 1.0 Mn Mn31 1 0.11389300 0.88432600 0.34751200 1.0 O O32 1 0.27658300 0.26948100 0.06904600 1.0 O O33 1 0.72341700 0.73051900 0.93095400 1.0 O O34 1 0.06158000 0.71790700 0.07048600 1.0 O O35 1 0.93842000 0.28209300 0.92951400 1.0 O O36 1 0.72655800 0.94092800 0.07410000 1.0 O O37 1 0.27344200 0.05907200 0.92590000 1.0 O O38 1 0.02127300 0.52174500 0.68157300 1.0 O O39 1 0.97872700 0.47825500 0.31842700 1.0 O O40 1 0.18180600 0.97666500 0.67993000 1.0 O O41 1 0.81819400 0.02333500 0.32007000 1.0 O O42 1 0.49111700 0.81840600 0.68122500 1.0 O O43 1 0.50888300 0.18159400 0.31877500 1.0 O O44 1 0.21966500 0.23417900 0.42122400 1.0 O O45 1 0.78033500 0.76582100 0.57877600 1.0 O O46 1 0.43685000 0.79102900 0.41824400 1.0 O O47 1 0.56315000 0.20897100 0.58175600 1.0 O O48 1 0.77474400 0.56096600 0.41611600 1.0 O O49 1 0.22525600 0.43903400 0.58388400 1.0 O O50 1 0.45945000 0.95149400 0.82322800 1.0 O O51 1 0.54055000 0.04850600 0.17677200 1.0 O O52 1 0.31688300 0.54459600 0.82411800 1.0 O O53 1 0.68311700 0.45540400 0.17588200 1.0 O O54 1 0.04965400 0.68348900 0.82335100 1.0 O O55 1 0.95034600 0.31651100 0.17664900 1.0 O O56 1 0.66013400 0.19879500 0.94293500 1.0 O O57 1 0.33986600 0.80120500 0.05706500 1.0 O O58 1 0.47889800 0.33452600 0.94785300 1.0 O O59 1 0.52110200 0.66547400 0.05214700 1.0 O O60 1 0.80059300 0.51787000 0.94406500 1.0 O O61 1 0.19940700 0.48213000 0.05593500 1.0 O O62 1 0.55440100 0.57553300 0.70321300 1.0 O O63 1 0.44559900 0.42446700 0.29678700 1.0 O O64 1 0.71522700 0.44313300 0.69446100 1.0 O O65 1 0.28477300 0.55686700 0.30553900 1.0 O O66 1 0.42183400 0.28553400 0.69455600 1.0 O O67 1 0.57816600 0.71446600 0.30544400 1.0 O O68 1 0.83007900 0.30322200 0.52681500 1.0 O O69 1 0.16992100 0.69677800 0.47318500 1.0 O O70 1 0.00503900 0.17575700 0.52346800 1.0 O O71 1 0.99496100 0.82424300 0.47653200 1.0 O O72 1 0.70004000 0.02030700 0.50513500 1.0 O O73 1 0.29996000 0.97969300 0.49486500 1.0 O O74 1 0.93722900 0.92496300 0.78383200 1.0 O O75 1 0.06277100 0.07503700 0.21616800 1.0 O O76 1 0.78272000 0.05880200 0.79554700 1.0 O O77 1 0.21728000 0.94119800 0.20445300 1.0 O O78 1 0.07298100 0.21365600 0.79799100 1.0 O O79 1 0.92701900 0.78634400 0.20200900 1.0