# generated using pymatgen data_Th5P12Ru18Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.63750459 _cell_length_b 12.57916879 _cell_length_c 4.00177663 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.84742588 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th5P12Ru18Rh _chemical_formula_sum 'Th5 P12 Ru18 Rh1' _cell_volume 551.77547862 _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 Th Th0 1 0.00000000 0.18677888 0.50000000 1.0 Th Th1 1 0.81238227 0.81189649 0.50000000 1.0 Th Th2 1 0.18761773 0.99951323 0.50000000 1.0 Th Th3 1 0.66416448 0.33179433 0.00000000 1.0 Th Th4 1 0.33583552 0.66762985 0.00000000 1.0 P P5 1 1.00000000 0.81058158 0.00000000 1.0 P P6 1 0.18600759 0.18655213 0.00000000 1.0 P P7 1 0.81399241 0.00054455 0.00000000 1.0 P P8 1 0.69536131 0.17115831 0.50000000 1.0 P P9 1 0.82429778 0.52364969 0.50000000 1.0 P P10 1 0.47359678 0.30474069 0.50000000 1.0 P P11 1 0.17570222 0.69935191 0.50000000 1.0 P P12 1 0.52640322 0.83114391 0.50000000 1.0 P P13 1 0.30463869 0.47579700 0.50000000 1.0 P P14 1 0.00000000 0.37321778 0.00000000 1.0 P P15 1 0.62322139 0.62351947 0.00000000 1.0 P P16 1 0.37677861 0.00030008 0.00000000 1.0 Ru Ru17 1 0.44394611 0.44489631 0.00000000 1.0 Ru Ru18 1 0.55605389 0.00095020 0.00000000 1.0 Ru Ru19 1 1.00000000 0.71239509 0.50000000 1.0 Ru Ru20 1 0.28317248 0.28419160 0.50000000 1.0 Ru Ru21 1 0.71682752 0.00101812 0.50000000 1.0 Ru Ru22 1 0.80663530 0.18494221 0.00000000 1.0 Ru Ru23 1 0.81579166 0.62134078 0.00000000 1.0 Ru Ru24 1 0.37572011 0.19262346 0.00000000 1.0 Ru Ru25 1 0.18420834 0.80555012 0.00000000 1.0 Ru Ru26 1 0.62427989 0.81690435 0.00000000 1.0 Ru Ru27 1 0.19336470 0.37830590 0.00000000 1.0 Ru Ru28 1 0.87394615 0.36856985 0.50000000 1.0 Ru Ru29 1 0.63085319 0.50735241 0.50000000 1.0 Ru Ru30 1 0.49366266 0.12705290 0.50000000 1.0 Ru Ru31 1 0.36914681 0.87649822 0.50000000 1.0 Ru Ru32 1 0.50633734 0.63339124 0.50000000 1.0 Ru Ru33 1 0.12605385 0.49462370 0.50000000 1.0 Ru Ru34 1 0.00000000 0.99811987 0.00000000 1.0 Rh Rh35 1 1.00000000 0.55310077 0.00000000 1.0