# generated using pymatgen data_BaMg6Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46252800 _cell_length_b 6.76701800 _cell_length_c 12.27324200 _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 453.68070106 _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 0.50000000 0.00000000 0.16884000 1.0 Ba Ba1 1 0.50000000 0.50000000 0.66884000 1.0 Mg Mg2 1 0.50000000 0.24670400 0.41758900 1.0 Mg Mg3 1 0.50000000 0.75329600 0.41758900 1.0 Mg Mg4 1 0.00000000 0.73743000 0.07459100 1.0 Mg Mg5 1 0.00000000 0.26257000 0.07459100 1.0 Mg Mg6 1 0.00000000 0.00000000 0.34588300 1.0 Mg Mg7 1 0.00000000 0.50000000 0.33764900 1.0 Mg Mg8 1 0.50000000 0.74670400 0.91758900 1.0 Mg Mg9 1 0.50000000 0.25329600 0.91758900 1.0 Mg Mg10 1 0.00000000 0.23743000 0.57459100 1.0 Mg Mg11 1 0.00000000 0.76257000 0.57459100 1.0 Mg Mg12 1 0.00000000 0.50000000 0.84588300 1.0 Mg Mg13 1 0.00000000 0.00000000 0.83764900 1.0 Bi Bi14 1 0.50000000 0.50000000 0.16326300 1.0 Bi Bi15 1 0.50000000 0.00000000 0.66326300 1.0