# generated using pymatgen data_LiMn12O24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27872200 _cell_length_b 8.28084000 _cell_length_c 13.10268706 _cell_angle_alpha 71.67663289 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn12O24 _chemical_formula_sum 'Li2 Mn24 O48' _cell_volume 852.70797765 _cell_formula_units_Z 2 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 Li Li0 1 0.37476400 0.50000000 0.75000000 1.0 Li Li1 1 0.62523600 0.50000000 0.25000000 1.0 Mn Mn2 1 0.49972300 0.16534300 0.16690300 1.0 Mn Mn3 1 0.24996800 0.75073500 0.49877600 1.0 Mn Mn4 1 0.99900000 0.66723600 0.66627200 1.0 Mn Mn5 1 0.00100000 0.66723600 0.16627200 1.0 Mn Mn6 1 0.75120700 0.58385300 0.83307200 1.0 Mn Mn7 1 0.75120700 0.41614700 0.66692800 1.0 Mn Mn8 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn9 1 0.75003200 0.24926500 0.50122400 1.0 Mn Mn10 1 0.24996800 0.24926500 0.00122400 1.0 Mn Mn11 1 0.50027700 0.16534300 0.66690300 1.0 Mn Mn12 1 0.99900000 0.33276400 0.83372800 1.0 Mn Mn13 1 0.24957800 0.08217000 0.83370200 1.0 Mn Mn14 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn15 1 0.75042200 0.08217000 0.33370200 1.0 Mn Mn16 1 0.24957800 0.91783000 0.66629800 1.0 Mn Mn17 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn18 1 0.75042200 0.91783000 0.16629800 1.0 Mn Mn19 1 0.75003200 0.75073500 0.99877600 1.0 Mn Mn20 1 0.49972300 0.83465700 0.33309700 1.0 Mn Mn21 1 0.50027700 0.83465700 0.83309700 1.0 Mn Mn22 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn23 1 0.24879300 0.58385300 0.33307200 1.0 Mn Mn24 1 0.24879300 0.41614700 0.16692800 1.0 Mn Mn25 1 0.00100000 0.33276400 0.33372800 1.0 O O26 1 0.51530600 0.07378900 0.32318400 1.0 O O27 1 0.23466000 0.97947200 0.51039500 1.0 O O28 1 0.26481000 0.81339600 0.34340300 1.0 O O29 1 0.01531900 0.76029500 0.51029300 1.0 O O30 1 0.98547500 0.57312400 0.82310200 1.0 O O31 1 0.76499500 0.64630400 0.67689400 1.0 O O32 1 0.01452500 0.57312400 0.32310200 1.0 O O33 1 0.51409600 0.59417000 0.83966800 1.0 O O34 1 0.76499500 0.35369600 0.82310600 1.0 O O35 1 0.73533000 0.47864000 0.51084100 1.0 O O36 1 0.26467000 0.47864000 0.01084100 1.0 O O37 1 0.76306600 0.31536700 0.34233800 1.0 O O38 1 0.51409600 0.40583000 0.66033200 1.0 O O39 1 0.48417600 0.25940600 0.01076200 1.0 O O40 1 0.51582400 0.25940600 0.51076200 1.0 O O41 1 0.26481000 0.18660400 0.15659700 1.0 O O42 1 0.23693400 0.31536700 0.84233800 1.0 O O43 1 0.48469400 0.07378900 0.82318400 1.0 O O44 1 0.26502700 0.14636400 0.67696600 1.0 O O45 1 0.01531900 0.23970500 0.98970700 1.0 O O46 1 0.23466000 0.02052800 0.98960500 1.0 O O47 1 0.98473700 0.09363600 0.34362900 1.0 O O48 1 0.26502700 0.85363600 0.82303400 1.0 O O49 1 0.01526300 0.09363600 0.84362900 1.0 O O50 1 0.73497300 0.14636400 0.17696600 1.0 O O51 1 0.98473700 0.90636400 0.15637100 1.0 O O52 1 0.76534000 0.97947200 0.01039500 1.0 O O53 1 0.01526300 0.90636400 0.65637100 1.0 O O54 1 0.98468100 0.76029500 0.01029300 1.0 O O55 1 0.73497300 0.85363600 0.32303400 1.0 O O56 1 0.76306600 0.68463300 0.15766200 1.0 O O57 1 0.51530600 0.92621100 0.17681600 1.0 O O58 1 0.73519000 0.81339600 0.84340300 1.0 O O59 1 0.48417600 0.74059400 0.48923800 1.0 O O60 1 0.51582400 0.74059400 0.98923800 1.0 O O61 1 0.23693400 0.68463300 0.65766200 1.0 O O62 1 0.73533000 0.52136000 0.98915900 1.0 O O63 1 0.48590400 0.59417000 0.33966800 1.0 O O64 1 0.26467000 0.52136000 0.48915900 1.0 O O65 1 0.23500500 0.64630400 0.17689400 1.0 O O66 1 0.48590400 0.40583000 0.16033200 1.0 O O67 1 0.23500500 0.35369600 0.32310600 1.0 O O68 1 0.98547500 0.42687600 0.67689800 1.0 O O69 1 0.01452500 0.42687600 0.17689800 1.0 O O70 1 0.98468100 0.23970500 0.48970700 1.0 O O71 1 0.73519000 0.18660400 0.65659700 1.0 O O72 1 0.76534000 0.02052800 0.48960500 1.0 O O73 1 0.48469400 0.92621100 0.67681600 1.0