# generated using pymatgen data_Mg5Pd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63939111 _cell_length_b 8.63939040 _cell_length_c 8.15856745 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00055593 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Pd2 _chemical_formula_sum 'Mg20 Pd8' _cell_volume 527.36140385 _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 Mg Mg0 1 0.00000000 0.00000000 -0.00000000 1.0 Mg Mg1 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg2 1 0.46006923 0.92016631 0.25000000 1.0 Mg Mg3 1 0.53989623 0.46010477 0.75000000 1.0 Mg Mg4 1 0.92016631 0.46006923 0.75000000 1.0 Mg Mg5 1 0.07983369 0.53993077 0.25000000 1.0 Mg Mg6 1 0.46010477 0.53989623 0.25000000 1.0 Mg Mg7 1 0.53993077 0.07983369 0.75000000 1.0 Mg Mg8 1 0.19309296 0.38619265 0.93659696 1.0 Mg Mg9 1 0.80690265 0.19309735 0.43661277 1.0 Mg Mg10 1 0.38619265 0.19309296 0.43659696 1.0 Mg Mg11 1 0.61380835 0.80690704 0.93659696 1.0 Mg Mg12 1 0.19309735 0.80690265 0.93661277 1.0 Mg Mg13 1 0.80690704 0.61380835 0.06340304 1.0 Mg Mg14 1 0.80690265 0.19309735 0.06338723 1.0 Mg Mg15 1 0.80690704 0.61380835 0.43659696 1.0 Mg Mg16 1 0.38619265 0.19309296 0.06340304 1.0 Mg Mg17 1 0.61380835 0.80690704 0.56340304 1.0 Mg Mg18 1 0.19309296 0.38619265 0.56340304 1.0 Mg Mg19 1 0.19309735 0.80690265 0.56338723 1.0 Pd Pd20 1 0.33333702 0.66666298 0.75000000 1.0 Pd Pd21 1 0.66666298 0.33333702 0.25000000 1.0 Pd Pd22 1 0.12252001 0.24503969 0.25000000 1.0 Pd Pd23 1 0.87748053 0.12252047 0.75000000 1.0 Pd Pd24 1 0.24503969 0.12252001 0.75000000 1.0 Pd Pd25 1 0.75496131 0.87748099 0.25000000 1.0 Pd Pd26 1 0.12252047 0.87748053 0.25000000 1.0 Pd Pd27 1 0.87748099 0.75496131 0.75000000 1.0