# generated using pymatgen data_LiMn6O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69240189 _cell_length_b 6.69240189 _cell_length_c 15.37706505 _cell_angle_alpha 82.67468555 _cell_angle_beta 82.67468555 _cell_angle_gamma 82.07734955 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn6O12 _chemical_formula_sum 'Li3 Mn18 O36' _cell_volume 672.32124045 _cell_formula_units_Z 3 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 0.75118900 0.24691200 0.83204700 1.0 Li Li1 1 0.75308800 0.24881100 0.16795300 1.0 Li Li2 1 0.41173500 0.58826500 0.50000000 1.0 Mn Mn3 1 0.98716800 0.48965900 0.58431900 1.0 Mn Mn4 1 0.00737000 0.50627000 0.24954800 1.0 Mn Mn5 1 0.17381600 0.33941500 0.74972200 1.0 Mn Mn6 1 0.16452600 0.33359700 0.41685700 1.0 Mn Mn7 1 0.17461200 0.33913800 0.08283500 1.0 Mn Mn8 1 0.32619700 0.15970800 0.58493700 1.0 Mn Mn9 1 0.33024400 0.16168200 0.25055700 1.0 Mn Mn10 1 0.49373000 0.99263000 0.75045200 1.0 Mn Mn11 1 0.32378700 0.15739500 0.91890300 1.0 Mn Mn12 1 0.51034100 0.01283200 0.41568100 1.0 Mn Mn13 1 0.49609800 0.99551100 0.08422700 1.0 Mn Mn14 1 0.66640300 0.83547400 0.58314300 1.0 Mn Mn15 1 0.66058500 0.82618400 0.25027800 1.0 Mn Mn16 1 0.83831800 0.66975600 0.74944300 1.0 Mn Mn17 1 0.66086200 0.82538800 0.91716500 1.0 Mn Mn18 1 0.84029200 0.67380300 0.41506300 1.0 Mn Mn19 1 0.84260500 0.67621300 0.08109700 1.0 Mn Mn20 1 0.00448900 0.50390200 0.91577300 1.0 O O21 1 0.89552800 0.39708300 0.72020300 1.0 O O22 1 0.26769500 0.42699300 0.62370700 1.0 O O23 1 0.90486800 0.40842100 0.36939800 1.0 O O24 1 0.26738600 0.42697500 0.29437200 1.0 O O25 1 0.90630600 0.40292000 0.04111500 1.0 O O26 1 0.43774900 0.25414600 0.79920100 1.0 O O27 1 0.26534300 0.42668100 0.96072200 1.0 O O28 1 0.42251000 0.27897600 0.46766100 1.0 O O29 1 0.05880600 0.23893100 0.87377900 1.0 O O30 1 0.43795900 0.25970600 0.12922500 1.0 O O31 1 0.06482300 0.23030200 0.53669500 1.0 O O32 1 0.59157900 0.09513200 0.63060200 1.0 O O33 1 0.06458500 0.24269900 0.20319600 1.0 O O34 1 0.60291700 0.10447200 0.27979700 1.0 O O35 1 0.23214500 0.07085500 0.70712500 1.0 O O36 1 0.75730100 0.93541500 0.79680400 1.0 O O37 1 0.59708000 0.09369400 0.95888500 1.0 O O38 1 0.24467000 0.07073700 0.37136400 1.0 O O39 1 0.76969800 0.93517700 0.46330500 1.0 O O40 1 0.39584800 0.89423500 0.87343900 1.0 O O41 1 0.23277100 0.07021900 0.04155200 1.0 O O42 1 0.76106900 0.94119400 0.12622100 1.0 O O43 1 0.40169600 0.89230000 0.54618900 1.0 O O44 1 0.92926300 0.75533000 0.62863600 1.0 O O45 1 0.39796000 0.89716400 0.20470400 1.0 O O46 1 0.57302500 0.73261400 0.70562800 1.0 O O47 1 0.92914500 0.76785500 0.29287500 1.0 O O48 1 0.92978100 0.76722900 0.95844800 1.0 O O49 1 0.57300700 0.73230500 0.37629300 1.0 O O50 1 0.74029400 0.56204100 0.87077500 1.0 O O51 1 0.10283600 0.60204000 0.79529600 1.0 O O52 1 0.57331900 0.73465700 0.03927800 1.0 O O53 1 0.72102400 0.57749000 0.53233900 1.0 O O54 1 0.10770000 0.59830400 0.45381100 1.0 O O55 1 0.74585400 0.56225100 0.20079900 1.0 O O56 1 0.10576500 0.60415200 0.12656100 1.0