# generated using pymatgen data_BaLa2Mn3O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62938129 _cell_length_b 5.62938129 _cell_length_c 13.67027400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999166 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLa2Mn3O9 _chemical_formula_sum 'Ba2 La4 Mn6 O18' _cell_volume 375.17096328 _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 0.75000000 1.0 Ba Ba1 1 0.00000000 0.00000000 0.25000000 1.0 La La2 1 0.66666700 0.33333300 0.41796400 1.0 La La3 1 0.33333300 0.66666700 0.08203600 1.0 La La4 1 0.33333300 0.66666700 0.58203600 1.0 La La5 1 0.66666700 0.33333300 0.91796400 1.0 Mn Mn6 1 0.33333300 0.66666700 0.83328100 1.0 Mn Mn7 1 0.66666700 0.33333300 0.16671900 1.0 Mn Mn8 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn9 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn10 1 0.33333300 0.66666700 0.33328100 1.0 Mn Mn11 1 0.66666700 0.33333300 0.66671900 1.0 O O12 1 0.77112200 0.11206800 0.57675800 1.0 O O13 1 0.65905400 0.88793200 0.92324200 1.0 O O14 1 0.22887800 0.34094600 0.92324200 1.0 O O15 1 0.11206800 0.77112200 0.92324200 1.0 O O16 1 0.77112200 0.65905400 0.07675800 1.0 O O17 1 0.34094600 0.11206800 0.07675800 1.0 O O18 1 0.00000000 0.52087300 0.25000000 1.0 O O19 1 0.52087300 0.00000000 0.25000000 1.0 O O20 1 0.22887800 0.88793200 0.42324200 1.0 O O21 1 0.47912700 0.47912700 0.25000000 1.0 O O22 1 0.11206800 0.34094600 0.42324200 1.0 O O23 1 0.65905400 0.77112200 0.42324200 1.0 O O24 1 0.34094600 0.22887800 0.57675800 1.0 O O25 1 0.88793200 0.65905400 0.57675800 1.0 O O26 1 0.52087300 0.52087300 0.75000000 1.0 O O27 1 0.47912700 0.00000000 0.75000000 1.0 O O28 1 0.00000000 0.47912700 0.75000000 1.0 O O29 1 0.88793200 0.22887800 0.07675800 1.0