# generated using pymatgen data_BaMg6Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11738100 _cell_length_b 7.19318600 _cell_length_c 12.18852900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6Sb _chemical_formula_sum 'Ba2 Mg12 Sb2' _cell_volume 448.66308442 _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 0.32839100 1.0 Ba Ba1 1 0.00000000 0.00000000 0.82839100 1.0 Mg Mg2 1 0.00000000 0.25313500 0.07803400 1.0 Mg Mg3 1 0.00000000 0.74686500 0.07803400 1.0 Mg Mg4 1 0.00000000 0.50000000 0.84189300 1.0 Mg Mg5 1 0.50000000 0.28752700 0.93071800 1.0 Mg Mg6 1 0.50000000 0.71247300 0.93071800 1.0 Mg Mg7 1 0.50000000 0.50000000 0.66921300 1.0 Mg Mg8 1 0.00000000 0.75313500 0.57803400 1.0 Mg Mg9 1 0.00000000 0.24686500 0.57803400 1.0 Mg Mg10 1 0.00000000 0.00000000 0.34189300 1.0 Mg Mg11 1 0.50000000 0.78752700 0.43071800 1.0 Mg Mg12 1 0.50000000 0.21247300 0.43071800 1.0 Mg Mg13 1 0.50000000 0.00000000 0.16921300 1.0 Sb Sb14 1 0.50000000 0.50000000 0.14299900 1.0 Sb Sb15 1 0.50000000 0.00000000 0.64299900 1.0