# generated using pymatgen data_BaMg6Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07655000 _cell_length_b 7.08235800 _cell_length_c 11.92813500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6Ga _chemical_formula_sum 'Ba2 Mg12 Ga2' _cell_volume 428.86350384 _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 0.32852600 1.0 Ba Ba1 1 0.00000000 0.00000000 0.82852600 1.0 Mg Mg2 1 0.00000000 0.26418700 0.07979700 1.0 Mg Mg3 1 0.00000000 0.73581300 0.07979700 1.0 Mg Mg4 1 0.00000000 0.50000000 0.83732700 1.0 Mg Mg5 1 0.50000000 0.28371100 0.92917000 1.0 Mg Mg6 1 0.50000000 0.71628900 0.92917000 1.0 Mg Mg7 1 0.50000000 0.50000000 0.66633400 1.0 Mg Mg8 1 0.00000000 0.76418700 0.57979700 1.0 Mg Mg9 1 0.00000000 0.23581300 0.57979700 1.0 Mg Mg10 1 0.00000000 0.00000000 0.33732700 1.0 Mg Mg11 1 0.50000000 0.78371100 0.42917000 1.0 Mg Mg12 1 0.50000000 0.21628900 0.42917000 1.0 Mg Mg13 1 0.50000000 0.00000000 0.16633400 1.0 Ga Ga14 1 0.50000000 0.50000000 0.14988000 1.0 Ga Ga15 1 0.50000000 0.00000000 0.64988000 1.0