# generated using pymatgen data_Lu4MgGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01998354 _cell_length_b 7.53837533 _cell_length_c 14.27446388 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4MgGe4 _chemical_formula_sum 'Lu16 Mg4 Ge16' _cell_volume 755.39421866 _cell_formula_units_Z 4 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 Lu Lu0 1 0.33393151 0.17638554 0.62579217 1.0 Lu Lu1 1 0.66606849 0.82361446 0.37420783 1.0 Lu Lu2 1 0.16606849 0.67638554 0.37420783 1.0 Lu Lu3 1 0.66606849 0.82361446 0.12579217 1.0 Lu Lu4 1 0.83393151 0.32361446 0.62579217 1.0 Lu Lu5 1 0.33393151 0.17638554 0.87420783 1.0 Lu Lu6 1 0.83393151 0.32361446 0.87420783 1.0 Lu Lu7 1 0.16606849 0.67638554 0.12579217 1.0 Lu Lu8 1 0.00750770 0.18147262 0.09300922 1.0 Lu Lu9 1 0.99249230 0.81852738 0.90699078 1.0 Lu Lu10 1 0.49249230 0.68147262 0.90699078 1.0 Lu Lu11 1 0.99249230 0.81852738 0.59300922 1.0 Lu Lu12 1 0.50750770 0.31852738 0.09300922 1.0 Lu Lu13 1 0.00750770 0.18147262 0.40699078 1.0 Lu Lu14 1 0.50750770 0.31852738 0.40699078 1.0 Lu Lu15 1 0.49249230 0.68147262 0.59300922 1.0 Mg Mg16 1 0.16374223 0.51667075 0.75000000 1.0 Mg Mg17 1 0.83625777 0.48332925 0.25000000 1.0 Mg Mg18 1 0.33625777 0.01667075 0.25000000 1.0 Mg Mg19 1 0.66374223 0.98332925 0.75000000 1.0 Ge Ge20 1 0.02824899 0.09350871 0.75000000 1.0 Ge Ge21 1 0.97175101 0.90649129 0.25000000 1.0 Ge Ge22 1 0.47175101 0.59350871 0.25000000 1.0 Ge Ge23 1 0.52824899 0.40649129 0.75000000 1.0 Ge Ge24 1 0.17658926 0.46516781 0.53613710 1.0 Ge Ge25 1 0.82341074 0.53483219 0.46386290 1.0 Ge Ge26 1 0.32341074 0.96516781 0.46386290 1.0 Ge Ge27 1 0.82341074 0.53483219 0.03613710 1.0 Ge Ge28 1 0.67658926 0.03483219 0.53613710 1.0 Ge Ge29 1 0.17658926 0.46516781 0.96386290 1.0 Ge Ge30 1 0.67658926 0.03483219 0.96386290 1.0 Ge Ge31 1 0.32341074 0.96516781 0.03613710 1.0 Ge Ge32 1 0.29178139 0.86045155 0.75000000 1.0 Ge Ge33 1 0.70821861 0.13954845 0.25000000 1.0 Ge Ge34 1 0.20821861 0.36045155 0.25000000 1.0 Ge Ge35 1 0.79178139 0.63954845 0.75000000 1.0