# generated using pymatgen data_Mg4As6Ir4Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00383595 _cell_length_b 7.00758131 _cell_length_c 7.00758119 _cell_angle_alpha 109.40946392 _cell_angle_beta 109.51295971 _cell_angle_gamma 109.51295249 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4As6Ir4Ru3 _chemical_formula_sum 'Mg4 As6 Ir4 Ru3' _cell_volume 264.68758162 _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 0.00000000 0.99824777 0.49908449 1.0 Mg Mg1 1 0.50000000 0.00052933 0.99947067 1.0 Mg Mg2 1 1.00000000 0.50091551 0.00175223 1.0 Mg Mg3 1 0.50000000 0.50052933 0.49947067 1.0 As As4 1 0.68505705 0.68925886 0.99579820 1.0 As As5 1 0.30661017 0.31048373 0.99612644 1.0 As As6 1 0.00000000 0.68416055 0.69173371 1.0 As As7 1 1.00000000 0.30826629 0.31583945 1.0 As As8 1 0.69338983 0.00387356 0.68951627 1.0 As As9 1 0.31494295 0.00420180 0.31074114 1.0 Ir Ir10 1 0.50000000 0.24955271 0.75044729 1.0 Ir Ir11 1 0.50000000 0.74955271 0.25044729 1.0 Ir Ir12 1 0.75001451 0.50045544 0.24955907 1.0 Ir Ir13 1 0.24998549 0.75044093 0.49954456 1.0 Ru Ru14 1 0.00000000 0.99983312 0.00016688 1.0 Ru Ru15 1 0.25136578 0.50053258 0.75083420 1.0 Ru Ru16 1 0.74863422 0.24916580 0.49946742 1.0