# generated using pymatgen data_BaMn6O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.14800870 _cell_length_b 8.14800870 _cell_length_c 9.78229814 _cell_angle_alpha 54.12914357 _cell_angle_beta 54.12914357 _cell_angle_gamma 64.39780016 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMn6O12 _chemical_formula_sum 'Ba2 Mn12 O24' _cell_volume 422.54500797 _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 0.71614726 0.28385274 -0.00000000 1.0 Ba Ba1 1 0.28385274 0.71614726 -0.00000000 1.0 Mn Mn2 1 0.33736920 0.33736920 0.81532713 1.0 Mn Mn3 1 0.00195214 0.67016490 0.81544904 1.0 Mn Mn4 1 0.67016490 0.00195214 0.81544904 1.0 Mn Mn5 1 -0.00195214 0.32983510 0.18455096 1.0 Mn Mn6 1 0.66263080 0.66263080 0.18467287 1.0 Mn Mn7 1 0.32983510 -0.00195214 0.18455096 1.0 Mn Mn8 1 0.14843361 0.14843361 0.51960868 1.0 Mn Mn9 1 0.48250069 0.81391784 0.52040602 1.0 Mn Mn10 1 0.81391784 0.48250069 0.52040602 1.0 Mn Mn11 1 0.85156639 0.85156639 0.48039132 1.0 Mn Mn12 1 0.18608216 0.51749931 0.47959398 1.0 Mn Mn13 1 0.51749931 0.18608216 0.47959398 1.0 O O14 1 0.35026979 0.35026979 0.60634965 1.0 O O15 1 0.01291828 0.67643382 0.61228137 1.0 O O16 1 0.67643382 0.01291828 0.61228137 1.0 O O17 1 0.98708172 0.32356618 0.38771863 1.0 O O18 1 0.64973021 0.64973021 0.39365035 1.0 O O19 1 0.32356618 0.98708172 0.38771863 1.0 O O20 1 0.34414823 0.34414823 0.34974104 1.0 O O21 1 0.00623717 0.67500642 0.35694883 1.0 O O22 1 0.67500642 0.00623717 0.35694883 1.0 O O23 1 0.99376283 0.32499358 0.64305117 1.0 O O24 1 0.65585177 0.65585177 0.65025896 1.0 O O25 1 0.32499358 0.99376283 0.64305117 1.0 O O26 1 0.62698078 0.29015844 0.72337215 1.0 O O27 1 0.29015844 0.62698078 0.72337215 1.0 O O28 1 0.95764457 0.95764457 0.71596501 1.0 O O29 1 0.70984156 0.37301922 0.27662785 1.0 O O30 1 0.37301922 0.70984156 0.27662785 1.0 O O31 1 0.04235543 0.04235543 0.28403499 1.0 O O32 1 0.95735138 0.62653695 0.05878363 1.0 O O33 1 0.62653695 0.95735138 0.05878363 1.0 O O34 1 0.29619855 0.29619855 0.06034308 1.0 O O35 1 0.37346305 0.04264862 0.94121637 1.0 O O36 1 0.04264862 0.37346305 0.94121637 1.0 O O37 1 0.70380145 0.70380145 0.93965692 1.0