# generated using pymatgen data_BaMg6Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39482000 _cell_length_b 6.68035400 _cell_length_c 12.30726700 _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 443.54537825 _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 0.17279300 1.0 Ba Ba1 1 0.50000000 0.50000000 0.67279300 1.0 Mg Mg2 1 0.50000000 0.24768700 0.42120000 1.0 Mg Mg3 1 0.50000000 0.75231300 0.42120000 1.0 Mg Mg4 1 0.00000000 0.73481700 0.07344700 1.0 Mg Mg5 1 0.00000000 0.26518300 0.07344700 1.0 Mg Mg6 1 0.00000000 0.00000000 0.35011000 1.0 Mg Mg7 1 0.00000000 0.50000000 0.33430100 1.0 Mg Mg8 1 0.50000000 0.74768700 0.92120000 1.0 Mg Mg9 1 0.50000000 0.25231300 0.92120000 1.0 Mg Mg10 1 0.00000000 0.23481700 0.57344700 1.0 Mg Mg11 1 0.00000000 0.76518300 0.57344700 1.0 Mg Mg12 1 0.00000000 0.50000000 0.85011000 1.0 Mg Mg13 1 0.00000000 0.00000000 0.83430100 1.0 Sb Sb14 1 0.50000000 0.50000000 0.15350000 1.0 Sb Sb15 1 0.50000000 0.00000000 0.65350000 1.0