# generated using pymatgen data_Mg5P12IrRu18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.31173789 _cell_length_b 12.31173774 _cell_length_c 3.93249178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999780 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5P12IrRu18 _chemical_formula_sum 'Mg5 P12 Ir1 Ru18' _cell_volume 516.22279872 _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 0.33333300 0.66666700 0.00000000 1.0 Mg Mg1 1 0.66666700 0.33333300 0.00000000 1.0 Mg Mg2 1 0.82362289 1.00000000 0.50000000 1.0 Mg Mg3 1 1.00000000 0.82362289 0.50000000 1.0 Mg Mg4 1 0.17637711 0.17637711 0.50000000 1.0 P P5 1 0.18266611 1.00000000 0.00000000 1.0 P P6 1 1.00000000 0.18266611 0.00000000 1.0 P P7 1 0.81733389 0.81733389 0.00000000 1.0 P P8 1 0.17100783 0.47432586 0.50000000 1.0 P P9 1 0.52567414 0.69668197 0.50000000 1.0 P P10 1 0.30331803 0.82899217 0.50000000 1.0 P P11 1 0.69668197 0.52567414 0.50000000 1.0 P P12 1 0.82899217 0.30331803 0.50000000 1.0 P P13 1 0.47432586 0.17100783 0.50000000 1.0 P P14 1 0.62131717 0.00000000 0.00000000 1.0 P P15 1 0.00000000 0.62131717 0.00000000 1.0 P P16 1 0.37868283 0.37868283 0.00000000 1.0 Ir Ir17 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru18 1 0.43982681 1.00000000 0.00000000 1.0 Ru Ru19 1 1.00000000 0.43982681 0.00000000 1.0 Ru Ru20 1 0.56017319 0.56017319 0.00000000 1.0 Ru Ru21 1 0.36880908 0.49671987 0.50000000 1.0 Ru Ru22 1 0.50328013 0.87208921 0.50000000 1.0 Ru Ru23 1 0.12791079 0.63119092 0.50000000 1.0 Ru Ru24 1 0.87208921 0.50328013 0.50000000 1.0 Ru Ru25 1 0.63119092 0.12791079 0.50000000 1.0 Ru Ru26 1 0.49671987 0.36880908 0.50000000 1.0 Ru Ru27 1 0.18852699 0.37554738 0.00000000 1.0 Ru Ru28 1 0.62445262 0.81298061 0.00000000 1.0 Ru Ru29 1 0.18701939 0.81147301 0.00000000 1.0 Ru Ru30 1 0.81298061 0.62445262 0.00000000 1.0 Ru Ru31 1 0.81147301 0.18701939 0.00000000 1.0 Ru Ru32 1 0.37554738 0.18852699 0.00000000 1.0 Ru Ru33 1 0.27435892 0.00000000 0.50000000 1.0 Ru Ru34 1 0.00000000 0.27435892 0.50000000 1.0 Ru Ru35 1 0.72564108 0.72564108 0.50000000 1.0