# generated using pymatgen data_BaLa3Mn4O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93640449 _cell_length_b 7.93640449 _cell_length_c 7.93640445 _cell_angle_alpha 90.41006164 _cell_angle_beta 90.41006164 _cell_angle_gamma 90.41005386 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLa3Mn4O12 _chemical_formula_sum 'Ba2 La6 Mn8 O24' _cell_volume 499.84787598 _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 0.75000000 0.75000000 0.75000000 1.0 Ba Ba1 1 0.25000000 0.25000000 0.25000000 1.0 La La2 1 0.25415200 0.75000000 0.24584800 1.0 La La3 1 0.75000000 0.24584800 0.25415200 1.0 La La4 1 0.74584800 0.25000000 0.75415200 1.0 La La5 1 0.24584800 0.25415200 0.75000000 1.0 La La6 1 0.25000000 0.75415200 0.74584800 1.0 La La7 1 0.75415200 0.74584800 0.25000000 1.0 Mn Mn8 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn9 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn10 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn11 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn12 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn13 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn14 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn15 1 0.00000000 0.00000000 0.00000000 1.0 O O16 1 0.25000000 0.01290700 0.48709300 1.0 O O17 1 0.53531100 0.25085200 0.47854500 1.0 O O18 1 0.74914800 0.52145500 0.46468900 1.0 O O19 1 0.02707800 0.75000000 0.47292200 1.0 O O20 1 0.52145500 0.46468900 0.74914800 1.0 O O21 1 0.98709300 0.51290700 0.75000000 1.0 O O22 1 0.25000000 0.52707800 0.97292200 1.0 O O23 1 0.03531100 0.97854500 0.75085200 1.0 O O24 1 0.51290700 0.75000000 0.98709300 1.0 O O25 1 0.47292200 0.02707800 0.75000000 1.0 O O26 1 0.97854500 0.75085200 0.03531100 1.0 O O27 1 0.24914800 0.96468900 0.02145500 1.0 O O28 1 0.75085200 0.03531100 0.97854500 1.0 O O29 1 0.02145500 0.24914800 0.96468900 1.0 O O30 1 0.52707800 0.97292200 0.25000000 1.0 O O31 1 0.48709300 0.25000000 0.01290700 1.0 O O32 1 0.96468900 0.02145500 0.24914800 1.0 O O33 1 0.75000000 0.47292200 0.02707800 1.0 O O34 1 0.01290700 0.48709300 0.25000000 1.0 O O35 1 0.47854500 0.53531100 0.25085200 1.0 O O36 1 0.97292200 0.25000000 0.52707800 1.0 O O37 1 0.25085200 0.47854500 0.53531100 1.0 O O38 1 0.46468900 0.74914800 0.52145500 1.0 O O39 1 0.75000000 0.98709300 0.51290700 1.0