# generated using pymatgen data_Sm5P12Ru5Rh14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.63880064 _cell_length_b 12.60394165 _cell_length_c 3.94295860 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.08289407 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm5P12Ru5Rh14 _chemical_formula_sum 'Sm5 P12 Ru5 Rh14' _cell_volume 543.50272420 _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 Sm Sm0 1 0.66626364 0.33094460 0.00000000 1.0 Sm Sm1 1 0.33465388 0.66829759 0.00000000 1.0 Sm Sm2 1 0.81412376 0.00068330 0.50000000 1.0 Sm Sm3 1 0.18476516 0.18653389 0.50000000 1.0 Sm Sm4 1 0.99962878 0.81287493 0.50000000 1.0 P P5 1 0.63360679 0.99918660 0.00000000 1.0 P P6 1 0.36571231 0.36635325 0.00000000 1.0 P P7 1 0.00045572 0.63356530 0.00000000 1.0 P P8 1 0.68943636 0.51994110 0.50000000 1.0 P P9 1 0.82922941 0.30657816 0.50000000 1.0 P P10 1 0.31610958 0.83501411 0.50000000 1.0 P P11 1 0.52057896 0.69156754 0.50000000 1.0 P P12 1 0.18243889 0.00019199 0.00000000 1.0 P P13 1 0.81712262 0.81656165 0.00000000 1.0 P P14 1 0.99699585 0.18336899 0.00000000 1.0 P P15 1 0.47770597 0.16744143 0.50000000 1.0 P P16 1 0.16887962 0.48025286 0.50000000 1.0 Ru Ru17 1 0.51341420 0.87369727 0.50000000 1.0 Ru Ru18 1 0.71430927 0.71402481 0.50000000 1.0 Ru Ru19 1 0.00036617 0.28643359 0.50000000 1.0 Ru Ru20 1 0.81744912 0.19702431 0.00000000 1.0 Ru Ru21 1 0.28297405 0.99975489 0.50000000 1.0 Rh Rh22 1 0.62311842 0.80320858 0.00000000 1.0 Rh Rh23 1 0.18261971 0.37957131 0.00000000 1.0 Rh Rh24 1 0.37748870 0.18229962 0.00000000 1.0 Rh Rh25 1 0.19563922 0.81841607 0.00000000 1.0 Rh Rh26 1 0.80241581 0.62011478 0.00000000 1.0 Rh Rh27 1 0.87101267 0.50830138 0.50000000 1.0 Rh Rh28 1 0.49123217 0.36104684 0.50000000 1.0 Rh Rh29 1 0.63479858 0.12614888 0.50000000 1.0 Rh Rh30 1 0.13146212 0.64091919 0.50000000 1.0 Rh Rh31 1 0.36180853 0.49080746 0.50000000 1.0 Rh Rh32 1 0.99978258 0.00029276 0.00000000 1.0 Rh Rh33 1 0.45256626 0.99871464 0.00000000 1.0 Rh Rh34 1 0.54779631 0.54681212 0.00000000 1.0 Rh Rh35 1 0.00203883 0.45305222 0.00000000 1.0