# generated using pymatgen data_LiMnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94467900 _cell_length_b 5.99346004 _cell_length_c 14.60724654 _cell_angle_alpha 91.11519273 _cell_angle_beta 89.90918413 _cell_angle_gamma 119.56442963 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnO2 _chemical_formula_sum 'Li12 Mn12 O24' _cell_volume 452.57833650 _cell_formula_units_Z 12 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 0.69070200 0.83237200 0.17215800 1.0 Li Li1 1 0.17630900 0.33942100 0.16612300 1.0 Li Li2 1 0.49248600 0.99417500 0.50076900 1.0 Li Li3 1 0.16059400 0.33201700 0.66633600 1.0 Li Li4 1 0.19923700 0.85099800 0.15886700 1.0 Li Li5 1 0.97719400 0.48416800 0.50087700 1.0 Li Li6 1 0.83155100 0.17958600 0.83090900 1.0 Li Li7 1 0.83460500 0.66576200 0.33376100 1.0 Li Li8 1 0.50787200 0.00782400 0.99830200 1.0 Li Li9 1 0.83329400 0.67174100 0.83168400 1.0 Li Li10 1 0.47573400 0.48341900 0.50884600 1.0 Li Li11 1 0.32820300 0.18061600 0.82461500 1.0 Mn Mn12 1 0.33377700 0.66754200 0.33339200 1.0 Mn Mn13 1 0.33688400 0.67737200 0.83175300 1.0 Mn Mn14 1 0.00436700 0.00601500 0.99867200 1.0 Mn Mn15 1 0.67607200 0.33864600 0.16644500 1.0 Mn Mn16 1 0.99078700 0.98994300 0.50038000 1.0 Mn Mn17 1 0.66345300 0.33195800 0.66647900 1.0 Mn Mn18 1 0.66351500 0.83248600 0.66660700 1.0 Mn Mn19 1 0.00611900 0.50695500 0.99962800 1.0 Mn Mn20 1 0.16264800 0.83170000 0.66557400 1.0 Mn Mn21 1 0.33416300 0.16755200 0.33261500 1.0 Mn Mn22 1 0.50519800 0.50593300 0.99978800 1.0 Mn Mn23 1 0.83447400 0.16678300 0.33275800 1.0 O O24 1 0.98647400 0.97796800 0.73842400 1.0 O O25 1 0.68737000 0.86451700 0.41034300 1.0 O O26 1 0.64655800 0.80920300 0.91981900 1.0 O O27 1 0.50207900 0.51914000 0.74814700 1.0 O O28 1 0.32554000 0.65010900 0.07199100 1.0 O O29 1 0.01281300 0.02466700 0.25996200 1.0 O O30 1 0.13841900 0.33690000 0.41339900 1.0 O O31 1 0.51023100 0.02731200 0.75379300 1.0 O O32 1 0.14085100 0.33563300 0.91874300 1.0 O O33 1 0.34240900 0.68681000 0.59404100 1.0 O O34 1 0.85305900 0.20302000 0.07734400 1.0 O O35 1 0.98240200 0.46965400 0.25464500 1.0 O O36 1 0.17296900 0.86058400 0.41132500 1.0 O O37 1 0.15946600 0.81042900 0.92229800 1.0 O O38 1 0.82126900 0.14225400 0.58555300 1.0 O O39 1 0.01954800 0.52778000 0.74784300 1.0 O O40 1 0.87248600 0.67956300 0.08171700 1.0 O O41 1 0.52992700 0.99587900 0.25054300 1.0 O O42 1 0.65560300 0.30801300 0.40334700 1.0 O O43 1 0.68740500 0.36452000 0.92938900 1.0 O O44 1 0.81192400 0.63685900 0.57894700 1.0 O O45 1 0.36309700 0.19891300 0.08087800 1.0 O O46 1 0.49861500 0.47789800 0.25245200 1.0 O O47 1 0.30703400 0.14017000 0.58352300 1.0