# generated using pymatgen data_Ba3Mn2IrO9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84164528 _cell_length_b 5.84164528 _cell_length_c 8.08217901 _cell_angle_alpha 89.99999863 _cell_angle_beta 111.18561944 _cell_angle_gamma 60.00000820 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Mn2IrO9 _chemical_formula_sum 'Ba3 Mn2 Ir1 O9' _cell_volume 217.06178517 _cell_formula_units_Z 1 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 0.55952800 0.22023600 0.33929100 1.0 Ba Ba2 1 0.44047200 0.77976400 0.66070900 1.0 Mn Mn3 1 0.24412700 0.37793600 0.86619100 1.0 Mn Mn4 1 0.75587300 0.62206400 0.13380900 1.0 Ir Ir5 1 0.00000000 0.50000000 0.50000000 1.0 O O6 1 0.58254200 0.70872900 0.33297700 1.0 O O7 1 0.04170600 0.70872900 0.33297700 1.0 O O8 1 0.04170600 0.24956500 0.33297700 1.0 O O9 1 0.41745800 0.29127100 0.66702300 1.0 O O10 1 0.95829400 0.29127100 0.66702300 1.0 O O11 1 0.95829400 0.75043500 0.66702300 1.0 O O12 1 0.50000000 0.50000000 0.00000000 1.0 O O13 1 0.50000000 0.00000000 0.00000000 1.0 O O14 1 0.00000000 0.50000000 0.00000000 1.0