# generated using pymatgen data_BaMg6Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20148600 _cell_length_b 7.22675700 _cell_length_c 12.23410200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6Bi _chemical_formula_sum 'Ba2 Mg12 Bi2' _cell_volume 459.87836933 _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 0.50000000 0.33002800 1.0 Ba Ba1 1 0.00000000 0.00000000 0.83002800 1.0 Mg Mg2 1 0.00000000 0.24915200 0.07761900 1.0 Mg Mg3 1 0.00000000 0.75084800 0.07761900 1.0 Mg Mg4 1 0.00000000 0.50000000 0.84319400 1.0 Mg Mg5 1 0.50000000 0.28440000 0.92785500 1.0 Mg Mg6 1 0.50000000 0.71560000 0.92785500 1.0 Mg Mg7 1 0.50000000 0.50000000 0.66864200 1.0 Mg Mg8 1 0.00000000 0.74915200 0.57761900 1.0 Mg Mg9 1 0.00000000 0.25084800 0.57761900 1.0 Mg Mg10 1 0.00000000 0.00000000 0.34319400 1.0 Mg Mg11 1 0.50000000 0.78440000 0.42785500 1.0 Mg Mg12 1 0.50000000 0.21560000 0.42785500 1.0 Mg Mg13 1 0.50000000 0.00000000 0.16864200 1.0 Bi Bi14 1 0.50000000 0.50000000 0.14718600 1.0 Bi Bi15 1 0.50000000 0.00000000 0.64718600 1.0