# generated using pymatgen data_LaMnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87143000 _cell_length_b 7.77742005 _cell_length_c 5.58599615 _cell_angle_alpha 90.10098825 _cell_angle_beta 89.99992001 _cell_angle_gamma 89.99984830 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnO3 _chemical_formula_sum 'La4 Mn4 O12' _cell_volume 255.08175725 _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 La La0 1 0.05761200 0.25022400 0.98884600 1.0 La La1 1 0.94240700 0.74975500 0.01117600 1.0 La La2 1 0.55761900 0.24977400 0.51114800 1.0 La La3 1 0.44242100 0.75021500 0.48882600 1.0 Mn Mn4 1 0.99996300 0.99997100 0.49996500 1.0 Mn Mn5 1 0.00000700 0.50002400 0.50006700 1.0 Mn Mn6 1 0.49998000 0.50005500 0.99995800 1.0 Mn Mn7 1 0.49995600 0.99997800 0.00005100 1.0 O O8 1 0.47898600 0.24869500 0.08678100 1.0 O O9 1 0.52102100 0.75130100 0.91318700 1.0 O O10 1 0.97898500 0.25131000 0.41321700 1.0 O O11 1 0.02102200 0.74870200 0.58681300 1.0 O O12 1 0.31003700 0.04412300 0.71902000 1.0 O O13 1 0.68886000 0.54425000 0.27963600 1.0 O O14 1 0.69001000 0.95582800 0.28104100 1.0 O O15 1 0.31109700 0.45579600 0.72030800 1.0 O O16 1 0.80999600 0.45588000 0.78103500 1.0 O O17 1 0.18890200 0.95574900 0.22028900 1.0 O O18 1 0.18997500 0.54417400 0.21901900 1.0 O O19 1 0.81114400 0.04419800 0.77961700 1.0