# generated using pymatgen data_Tm5P12IrRu18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.41393989 _cell_length_b 12.41394014 _cell_length_c 3.94660011 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999411 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5P12IrRu18 _chemical_formula_sum 'Tm5 P12 Ir1 Ru18' _cell_volume 526.71182228 _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 Tm Tm0 1 0.33333300 0.66666700 0.50000000 1.0 Tm Tm1 1 0.66666700 0.33333300 0.50000000 1.0 Tm Tm2 1 0.18563347 0.18563347 0.00000000 1.0 Tm Tm3 1 0.81436653 1.00000000 0.00000000 1.0 Tm Tm4 1 1.00000000 0.81436653 0.00000000 1.0 P P5 1 0.30636337 0.82866161 0.00000000 1.0 P P6 1 0.17133839 0.47770176 0.00000000 1.0 P P7 1 0.52229824 0.69363663 0.00000000 1.0 P P8 1 0.82866161 0.30636337 0.00000000 1.0 P P9 1 0.47770176 0.17133839 0.00000000 1.0 P P10 1 0.69363663 0.52229824 0.00000000 1.0 P P11 1 0.37257085 0.37257085 0.50000000 1.0 P P12 1 0.62742915 0.00000000 0.50000000 1.0 P P13 1 0.00000000 0.62742915 0.50000000 1.0 P P14 1 0.81471705 0.81471705 0.50000000 1.0 P P15 1 0.18528295 1.00000000 0.50000000 1.0 P P16 1 1.00000000 0.18528295 0.50000000 1.0 Ir Ir17 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru18 1 0.19187028 0.81462860 0.50000000 1.0 Ru Ru19 1 0.18537140 0.37724168 0.50000000 1.0 Ru Ru20 1 0.62275832 0.80812972 0.50000000 1.0 Ru Ru21 1 0.81462860 0.19187028 0.50000000 1.0 Ru Ru22 1 0.37724168 0.18537140 0.50000000 1.0 Ru Ru23 1 0.80812972 0.62275832 0.50000000 1.0 Ru Ru24 1 0.12677979 0.63401561 0.00000000 1.0 Ru Ru25 1 0.36598439 0.49276317 0.00000000 1.0 Ru Ru26 1 0.50723683 0.87322021 0.00000000 1.0 Ru Ru27 1 0.63401561 0.12677979 0.00000000 1.0 Ru Ru28 1 0.49276317 0.36598439 0.00000000 1.0 Ru Ru29 1 0.87322021 0.50723683 0.00000000 1.0 Ru Ru30 1 0.55474569 0.55474569 0.50000000 1.0 Ru Ru31 1 0.44525431 1.00000000 0.50000000 1.0 Ru Ru32 1 1.00000000 0.44525431 0.50000000 1.0 Ru Ru33 1 0.71855422 0.71855422 0.00000000 1.0 Ru Ru34 1 0.28144578 1.00000000 0.00000000 1.0 Ru Ru35 1 1.00000000 0.28144578 0.00000000 1.0