# generated using pymatgen data_Mn2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.59898300 _cell_length_b 9.61929200 _cell_length_c 9.62191800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2O3 _chemical_formula_sum 'Mn32 O48' _cell_volume 888.44384339 _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 0.75287400 0.28582400 0.49884000 1.0 Mn Mn1 1 0.00521900 0.24499000 0.28527800 1.0 Mn Mn2 1 0.50521900 0.25501000 0.71472200 1.0 Mn Mn3 1 0.24712600 0.78582400 0.00116000 1.0 Mn Mn4 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn5 1 0.25287400 0.28582400 0.00116000 1.0 Mn Mn6 1 0.50521900 0.24499000 0.21472200 1.0 Mn Mn7 1 0.00521900 0.25501000 0.78527800 1.0 Mn Mn8 1 0.74712600 0.78582400 0.49884000 1.0 Mn Mn9 1 0.24712600 0.71417600 0.50116000 1.0 Mn Mn10 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn11 1 0.49478100 0.74499000 0.28527800 1.0 Mn Mn12 1 0.75287400 0.21417600 0.99884000 1.0 Mn Mn13 1 0.74712600 0.71417600 0.99884000 1.0 Mn Mn14 1 0.28448800 0.99346100 0.25222800 1.0 Mn Mn15 1 0.28448800 0.50653900 0.75222800 1.0 Mn Mn16 1 0.21551200 0.49346100 0.25222800 1.0 Mn Mn17 1 0.78448800 0.50653900 0.74777200 1.0 Mn Mn18 1 0.99478100 0.75501000 0.71472200 1.0 Mn Mn19 1 0.99478100 0.74499000 0.21472200 1.0 Mn Mn20 1 0.71551200 0.49346100 0.24777200 1.0 Mn Mn21 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn22 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn23 1 0.21551200 0.00653900 0.75222800 1.0 Mn Mn24 1 0.78448800 0.99346100 0.24777200 1.0 Mn Mn25 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn26 1 0.71551200 0.00653900 0.74777200 1.0 Mn Mn27 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn28 1 0.25287400 0.21417600 0.50116000 1.0 Mn Mn29 1 0.49478100 0.75501000 0.78527800 1.0 Mn Mn30 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn31 1 0.50000000 0.00000000 0.50000000 1.0 O O32 1 0.86423800 0.64971300 0.58744400 1.0 O O33 1 0.59095800 0.13657600 0.85350600 1.0 O O34 1 0.86423800 0.85028700 0.08744400 1.0 O O35 1 0.87488100 0.35892600 0.91541000 1.0 O O36 1 0.35916200 0.08776200 0.62981100 1.0 O O37 1 0.91786700 0.12420200 0.14368400 1.0 O O38 1 0.40904200 0.63657600 0.64649400 1.0 O O39 1 0.35916200 0.41223800 0.12981100 1.0 O O40 1 0.14660700 0.41816600 0.87181000 1.0 O O41 1 0.58213300 0.62420200 0.14368400 1.0 O O42 1 0.85916200 0.41223800 0.37018900 1.0 O O43 1 0.13576200 0.35028700 0.41255600 1.0 O O44 1 0.09095800 0.36342400 0.14649400 1.0 O O45 1 0.14083800 0.91223800 0.12981100 1.0 O O46 1 0.85339300 0.91816600 0.62819000 1.0 O O47 1 0.14660700 0.08183400 0.37181000 1.0 O O48 1 0.64083800 0.58776200 0.87018900 1.0 O O49 1 0.90904200 0.86342400 0.35350600 1.0 O O50 1 0.09095800 0.13657600 0.64649400 1.0 O O51 1 0.63576200 0.35028700 0.08744400 1.0 O O52 1 0.64083800 0.91223800 0.37018900 1.0 O O53 1 0.87488100 0.14107400 0.41541000 1.0 O O54 1 0.08213300 0.62420200 0.35631600 1.0 O O55 1 0.58213300 0.87579800 0.64368400 1.0 O O56 1 0.35339300 0.58183400 0.37181000 1.0 O O57 1 0.35339300 0.91816600 0.87181000 1.0 O O58 1 0.85339300 0.58183400 0.12819000 1.0 O O59 1 0.90904200 0.63657600 0.85350600 1.0 O O60 1 0.41786700 0.12420200 0.35631600 1.0 O O61 1 0.14083800 0.58776200 0.62981100 1.0 O O62 1 0.63576200 0.14971300 0.58744400 1.0 O O63 1 0.85916200 0.08776200 0.87018900 1.0 O O64 1 0.12511900 0.85892600 0.58459000 1.0 O O65 1 0.62511900 0.64107400 0.41541000 1.0 O O66 1 0.62511900 0.85892600 0.91541000 1.0 O O67 1 0.37488100 0.35892600 0.58459000 1.0 O O68 1 0.64660700 0.08183400 0.12819000 1.0 O O69 1 0.40904200 0.86342400 0.14649400 1.0 O O70 1 0.59095800 0.36342400 0.35350600 1.0 O O71 1 0.91786700 0.37579800 0.64368400 1.0 O O72 1 0.13576200 0.14971300 0.91255600 1.0 O O73 1 0.41786700 0.37579800 0.85631600 1.0 O O74 1 0.36423800 0.85028700 0.41255600 1.0 O O75 1 0.12511900 0.64107400 0.08459000 1.0 O O76 1 0.37488100 0.14107400 0.08459000 1.0 O O77 1 0.64660700 0.41816600 0.62819000 1.0 O O78 1 0.08213300 0.87579800 0.85631600 1.0 O O79 1 0.36423800 0.64971300 0.91255600 1.0