# generated using pymatgen data_LiMnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29809500 _cell_length_b 5.91777500 _cell_length_c 8.72163000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnO2 _chemical_formula_sum 'Li6 Mn6 O12' _cell_volume 221.83604700 _cell_formula_units_Z 6 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 0.00000000 0.87045100 0.83389000 1.0 Li Li1 1 0.00000000 0.87045100 0.16611000 1.0 Li Li2 1 0.00000000 0.37717800 0.50000000 1.0 Li Li3 1 0.50000000 0.62282200 0.00000000 1.0 Li Li4 1 0.50000000 0.12954900 0.33389000 1.0 Li Li5 1 0.50000000 0.12954900 0.66611000 1.0 Mn Mn6 1 0.00000000 0.36873500 0.82857000 1.0 Mn Mn7 1 0.00000000 0.90732100 0.50000000 1.0 Mn Mn8 1 0.00000000 0.36873500 0.17143000 1.0 Mn Mn9 1 0.50000000 0.63126500 0.32857000 1.0 Mn Mn10 1 0.50000000 0.63126500 0.67143000 1.0 Mn Mn11 1 0.50000000 0.09267900 0.00000000 1.0 O O12 1 0.00000000 0.58030000 0.00000000 1.0 O O13 1 0.00000000 0.62443100 0.32660800 1.0 O O14 1 0.00000000 0.62443100 0.67339200 1.0 O O15 1 0.00000000 0.13377900 0.00000000 1.0 O O16 1 0.00000000 0.13970300 0.32860600 1.0 O O17 1 0.00000000 0.13970300 0.67139400 1.0 O O18 1 0.50000000 0.86029700 0.82860600 1.0 O O19 1 0.50000000 0.86622100 0.50000000 1.0 O O20 1 0.50000000 0.86029700 0.17139400 1.0 O O21 1 0.50000000 0.41970000 0.50000000 1.0 O O22 1 0.50000000 0.37556900 0.82660800 1.0 O O23 1 0.50000000 0.37556900 0.17339200 1.0