# generated using pymatgen data_Li9Mn12Ni3O32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.29042820 _cell_length_b 8.29042820 _cell_length_c 8.29042800 _cell_angle_alpha 90.00032253 _cell_angle_beta 90.00032253 _cell_angle_gamma 90.00031276 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li9Mn12Ni3O32 _chemical_formula_sum 'Li9 Mn12 Ni3 O32' _cell_volume 569.81106295 _cell_formula_units_Z 1 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 0.87172400 0.88158200 0.37048800 1.0 Li Li1 1 0.62951200 0.11841800 0.12827600 1.0 Li Li2 1 0.62077700 0.62077700 0.62077700 1.0 Li Li3 1 0.37922300 0.37922300 0.37922300 1.0 Li Li4 1 0.37048800 0.87172400 0.88158200 1.0 Li Li5 1 0.12827600 0.62951200 0.11841800 1.0 Li Li6 1 0.11841800 0.12827600 0.62951200 1.0 Li Li7 1 0.00000000 0.00000000 0.00000000 1.0 Li Li8 1 0.88158200 0.37048800 0.87172400 1.0 Mn Mn9 1 0.75432500 0.50000000 0.24567500 1.0 Mn Mn10 1 0.75227000 0.74844100 0.99553300 1.0 Mn Mn11 1 0.74844100 0.99553300 0.75227000 1.0 Mn Mn12 1 0.50396300 0.49603700 0.00000000 1.0 Mn Mn13 1 0.50000000 0.24567500 0.75432500 1.0 Mn Mn14 1 0.49603700 0.00000000 0.50396300 1.0 Mn Mn15 1 0.25155900 0.24773000 0.00446700 1.0 Mn Mn16 1 0.24773000 0.00446700 0.25155900 1.0 Mn Mn17 1 0.24567500 0.75432500 0.50000000 1.0 Mn Mn18 1 0.00446700 0.25155900 0.24773000 1.0 Mn Mn19 1 0.00000000 0.50396300 0.49603700 1.0 Mn Mn20 1 0.99553300 0.75227000 0.74844100 1.0 Ni Ni21 1 0.75070200 0.24929800 0.50000000 1.0 Ni Ni22 1 0.50000000 0.75070200 0.24929800 1.0 Ni Ni23 1 0.24929800 0.50000000 0.75070200 1.0 O O24 1 0.77276800 0.26680700 0.25094800 1.0 O O25 1 0.76691800 0.49763200 0.47697000 1.0 O O26 1 0.75981100 0.75981100 0.75981100 1.0 O O27 1 0.74749300 0.97488000 0.98115600 1.0 O O28 1 0.74905200 0.73319300 0.22723200 1.0 O O29 1 0.73982500 0.50894500 0.01060300 1.0 O O30 1 0.73319300 0.22723200 0.74905200 1.0 O O31 1 0.72644300 0.00215600 0.51660500 1.0 O O32 1 0.52303000 0.50236800 0.23308200 1.0 O O33 1 0.51660500 0.72644300 0.00215600 1.0 O O34 1 0.50894500 0.01060300 0.73982500 1.0 O O35 1 0.50236800 0.23308200 0.52303000 1.0 O O36 1 0.49763200 0.47697000 0.76691800 1.0 O O37 1 0.49105500 0.26017500 0.98939700 1.0 O O38 1 0.48339500 0.99784400 0.27355700 1.0 O O39 1 0.47697000 0.76691800 0.49763200 1.0 O O40 1 0.27355700 0.48339500 0.99784400 1.0 O O41 1 0.26680700 0.25094800 0.77276800 1.0 O O42 1 0.26017500 0.98939700 0.49105500 1.0 O O43 1 0.25094800 0.77276800 0.26680700 1.0 O O44 1 0.25250700 0.01884400 0.02512000 1.0 O O45 1 0.24018900 0.24018900 0.24018900 1.0 O O46 1 0.23308200 0.52303000 0.50236800 1.0 O O47 1 0.22723200 0.74905200 0.73319300 1.0 O O48 1 0.02512000 0.25250700 0.01884400 1.0 O O49 1 0.01884400 0.02512000 0.25250700 1.0 O O50 1 0.01060300 0.73982500 0.50894500 1.0 O O51 1 0.00215600 0.51660500 0.72644300 1.0 O O52 1 0.99784400 0.27355700 0.48339500 1.0 O O53 1 0.98939700 0.49105500 0.26017500 1.0 O O54 1 0.98115600 0.74749300 0.97488000 1.0 O O55 1 0.97488000 0.98115600 0.74749300 1.0