# generated using pymatgen data_BaLaSmMn3O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62166774 _cell_length_b 5.62166774 _cell_length_c 13.53232600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999695 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaSmMn3O9 _chemical_formula_sum 'Ba2 La2 Sm2 Mn6 O18' _cell_volume 370.36798963 _cell_formula_units_Z 2 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 Ba Ba0 1 0.00000000 0.00000000 0.00000000 1.0 Ba Ba1 1 0.00000000 0.00000000 0.50000000 1.0 La La2 1 0.33333300 0.66666700 0.83135200 1.0 La La3 1 0.66666700 0.33333300 0.16864800 1.0 Sm Sm4 1 0.33333300 0.66666700 0.33024300 1.0 Sm Sm5 1 0.66666700 0.33333300 0.66975700 1.0 Mn Mn6 1 0.00000000 0.00000000 0.25176300 1.0 Mn Mn7 1 0.33333300 0.66666700 0.58222500 1.0 Mn Mn8 1 0.66666700 0.33333300 0.91653900 1.0 Mn Mn9 1 0.00000000 0.00000000 0.74823700 1.0 Mn Mn10 1 0.33333300 0.66666700 0.08346100 1.0 Mn Mn11 1 0.66666700 0.33333300 0.41777500 1.0 O O12 1 0.75513500 0.09709300 0.32758000 1.0 O O13 1 0.09709300 0.75513500 0.67242000 1.0 O O14 1 0.47811200 0.47811200 0.00000000 1.0 O O15 1 0.34195800 0.24486500 0.32758000 1.0 O O16 1 0.65804200 0.90290700 0.67242000 1.0 O O17 1 0.00000000 0.52188800 0.00000000 1.0 O O18 1 0.90290700 0.65804200 0.32758000 1.0 O O19 1 0.24486500 0.34195800 0.67242000 1.0 O O20 1 0.52188800 0.00000000 0.00000000 1.0 O O21 1 0.65681000 0.76751900 0.17532100 1.0 O O22 1 0.00000000 0.47348800 0.50000000 1.0 O O23 1 0.34319000 0.11070900 0.82467900 1.0 O O24 1 0.11070900 0.34319000 0.17532100 1.0 O O25 1 0.47348800 0.00000000 0.50000000 1.0 O O26 1 0.76751900 0.65681000 0.82467900 1.0 O O27 1 0.23248100 0.88929100 0.17532100 1.0 O O28 1 0.52651200 0.52651200 0.50000000 1.0 O O29 1 0.88929100 0.23248100 0.82467900 1.0