# generated using pymatgen data_Mg4As6Ir5Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01122841 _cell_length_b 7.01122875 _cell_length_c 7.01122850 _cell_angle_alpha 109.42095199 _cell_angle_beta 109.57180361 _cell_angle_gamma 109.42094746 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4As6Ir5Ru2 _chemical_formula_sum 'Mg4 As6 Ir5 Ru2' _cell_volume 265.31359826 _cell_formula_units_Z 1 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 0.99964095 0.99928091 0.49964095 1.0 Mg Mg1 1 0.50035905 0.00071909 0.00035905 1.0 Mg Mg2 1 0.99964095 0.50000000 0.00035905 1.0 Mg Mg3 1 0.50035905 0.50000000 0.49964095 1.0 As As4 1 0.68364942 0.68776879 0.99587963 1.0 As As5 1 0.30811084 0.31223121 0.99587963 1.0 As As6 1 0.00412037 0.68776879 0.69188916 1.0 As As7 1 0.00412037 0.31223121 0.31635058 1.0 As As8 1 0.68911642 0.00000000 0.68911642 1.0 As As9 1 0.31088358 1.00000000 0.31088358 1.0 Ir Ir10 1 0.74870744 0.24947558 0.49923086 1.0 Ir Ir11 1 0.50076914 0.24947558 0.75024472 1.0 Ir Ir12 1 0.50076914 0.75052442 0.25129256 1.0 Ir Ir13 1 0.75000000 0.50000000 0.25000000 1.0 Ir Ir14 1 0.24975528 0.75052442 0.49923086 1.0 Ru Ru15 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru16 1 0.25000000 0.50000000 0.75000000 1.0