# generated using pymatgen data_LiMn7O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.50252548 _cell_length_b 11.50252548 _cell_length_c 11.50252548 _cell_angle_alpha 130.73998714 _cell_angle_beta 130.73998714 _cell_angle_gamma 72.22651179 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn7O12 _chemical_formula_sum 'Li4 Mn28 O48' _cell_volume 854.15730999 _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 Li Li0 1 0.50000000 0.50000000 0.00000000 1.0 Li Li1 1 0.75000000 0.25000000 0.50000000 1.0 Li Li2 1 0.00000000 0.00000000 0.00000000 1.0 Li Li3 1 0.25000000 0.75000000 0.50000000 1.0 Mn Mn4 1 0.37500000 0.62500000 0.75000000 1.0 Mn Mn5 1 0.87500000 0.62500000 0.25000000 1.0 Mn Mn6 1 0.97572700 0.97572700 0.45145400 1.0 Mn Mn7 1 0.57164100 0.87500000 0.19664100 1.0 Mn Mn8 1 0.37500000 0.12500000 0.75000000 1.0 Mn Mn9 1 0.87500000 0.12500000 0.25000000 1.0 Mn Mn10 1 0.07164100 0.87500000 0.69664100 1.0 Mn Mn11 1 0.47572700 0.02427300 0.00000000 1.0 Mn Mn12 1 0.12500000 0.32164100 0.69664100 1.0 Mn Mn13 1 0.37500000 0.12500000 0.25000000 1.0 Mn Mn14 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn15 1 0.25000000 0.25000000 0.00000000 1.0 Mn Mn16 1 0.87500000 0.12500000 0.75000000 1.0 Mn Mn17 1 0.62500000 0.42835900 0.30335900 1.0 Mn Mn18 1 0.22572700 0.72572700 0.95145400 1.0 Mn Mn19 1 0.02427300 0.47572700 0.00000000 1.0 Mn Mn20 1 0.37500000 0.62500000 0.25000000 1.0 Mn Mn21 1 0.87500000 0.62500000 0.75000000 1.0 Mn Mn22 1 0.67835900 0.37500000 0.80335900 1.0 Mn Mn23 1 0.17835900 0.37500000 0.30335900 1.0 Mn Mn24 1 0.72572700 0.77427300 0.50000000 1.0 Mn Mn25 1 0.52427300 0.52427300 0.54854600 1.0 Mn Mn26 1 0.12500000 0.82164100 0.19664100 1.0 Mn Mn27 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn28 1 0.75000000 0.75000000 0.00000000 1.0 Mn Mn29 1 0.62500000 0.92835900 0.80335900 1.0 Mn Mn30 1 0.27427300 0.22572700 0.50000000 1.0 Mn Mn31 1 0.77427300 0.27427300 0.04854600 1.0 O O32 1 0.05702100 0.79885700 0.45658800 1.0 O O33 1 0.49862900 0.82828400 0.95499200 1.0 O O34 1 0.76924400 0.82327100 0.23151600 1.0 O O35 1 0.17171600 0.12670800 0.67034500 1.0 O O36 1 0.07828400 0.24862900 0.45499200 1.0 O O37 1 0.26924400 0.03772800 0.94597300 1.0 O O38 1 0.99862900 0.04363700 0.67034500 1.0 O O39 1 0.89956700 0.15773100 0.45658800 1.0 O O40 1 0.35043300 0.30702100 0.75816400 1.0 O O41 1 0.46227200 0.23075600 0.05402700 1.0 O O42 1 0.78772800 0.34175500 0.26848400 1.0 O O43 1 0.55702100 0.10043300 0.25816400 1.0 O O44 1 0.40773100 0.64956700 0.95658800 1.0 O O45 1 0.84226900 0.29885700 0.74183600 1.0 O O46 1 0.17672900 0.40824500 0.94597300 1.0 O O47 1 0.07327100 0.51924400 0.73151600 1.0 O O48 1 0.54885700 0.59226900 0.24183600 1.0 O O49 1 0.70114300 0.44297900 0.54341200 1.0 O O50 1 0.87670800 0.70636300 0.45499200 1.0 O O51 1 0.37329200 0.32828400 0.32965500 1.0 O O52 1 0.09175500 0.32327100 0.05402700 1.0 O O53 1 0.15824500 0.71227200 0.73151600 1.0 O O54 1 0.45636300 0.50137100 0.32965500 1.0 O O55 1 0.79363700 0.62329200 0.54500800 1.0 O O56 1 0.29363700 0.74862900 0.17034500 1.0 O O57 1 0.95636300 0.62670800 0.95499200 1.0 O O58 1 0.65824500 0.92672900 0.44597300 1.0 O O59 1 0.59175500 0.53772800 0.76848400 1.0 O O60 1 0.37670800 0.92171600 0.17034500 1.0 O O61 1 0.87329200 0.54363700 0.04500800 1.0 O O62 1 0.20114300 0.65773100 0.25816400 1.0 O O63 1 0.04885700 0.80702100 0.95658800 1.0 O O64 1 0.57327100 0.84175500 0.55402700 1.0 O O65 1 0.67672900 0.73075600 0.76848400 1.0 O O66 1 0.34226900 0.60043300 0.54341200 1.0 O O67 1 0.90773100 0.95114300 0.75816400 1.0 O O68 1 0.19297900 0.14956700 0.24183600 1.0 O O69 1 0.28772800 0.01924400 0.44597300 1.0 O O70 1 0.96227200 0.90824500 0.23151600 1.0 O O71 1 0.39956700 0.94297900 0.74183600 1.0 O O72 1 0.85043300 0.09226900 0.04341200 1.0 O O73 1 0.75137100 0.20636300 0.82965500 1.0 O O74 1 0.48075600 0.21227200 0.55402700 1.0 O O75 1 0.67171600 0.00137100 0.04500800 1.0 O O76 1 0.57828400 0.12329200 0.82965500 1.0 O O77 1 0.98075600 0.42672900 0.26848400 1.0 O O78 1 0.25137100 0.42171600 0.54500800 1.0 O O79 1 0.69297900 0.45114300 0.04341200 1.0