# generated using pymatgen data_SmP2Ru2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96925114 _cell_length_b 11.25108996 _cell_length_c 12.56079898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmP2Ru2Rh _chemical_formula_sum 'Sm6 P12 Ru12 Rh6' _cell_volume 560.94520643 _cell_formula_units_Z 6 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 0.00000000 0.50000000 0.52390205 1.0 Sm Sm1 1 0.50000000 0.00000000 0.47609795 1.0 Sm Sm2 1 0.50000000 0.82048224 0.20435202 1.0 Sm Sm3 1 0.50000000 0.17951776 0.20435202 1.0 Sm Sm4 1 0.00000000 0.67951776 0.79564798 1.0 Sm Sm5 1 0.00000000 0.32048224 0.79564798 1.0 P P6 1 0.50000000 0.50000000 0.88590923 1.0 P P7 1 0.00000000 0.00000000 0.11409077 1.0 P P8 1 0.50000000 0.50000000 0.34185121 1.0 P P9 1 0.00000000 0.00000000 0.65814879 1.0 P P10 1 0.50000000 0.30374097 0.61390355 1.0 P P11 1 0.50000000 0.69625903 0.61390355 1.0 P P12 1 0.00000000 0.19625903 0.38609645 1.0 P P13 1 0.00000000 0.80374097 0.38609645 1.0 P P14 1 0.50000000 0.84392342 0.89844174 1.0 P P15 1 0.50000000 0.15607658 0.89844174 1.0 P P16 1 0.00000000 0.65607658 0.10155826 1.0 P P17 1 0.00000000 0.34392342 0.10155826 1.0 Ru Ru18 1 0.50000000 0.50000000 0.15831720 1.0 Ru Ru19 1 0.00000000 0.00000000 0.84168280 1.0 Ru Ru20 1 0.00000000 0.50000000 0.99010940 1.0 Ru Ru21 1 0.50000000 0.00000000 0.00989060 1.0 Ru Ru22 1 0.50000000 0.33274567 0.99159414 1.0 Ru Ru23 1 0.50000000 0.66725433 0.99159414 1.0 Ru Ru24 1 0.00000000 0.16725433 0.00840586 1.0 Ru Ru25 1 0.00000000 0.83274567 0.00840586 1.0 Ru Ru26 1 0.50000000 0.29810911 0.42781926 1.0 Ru Ru27 1 0.50000000 0.70189089 0.42781926 1.0 Ru Ru28 1 0.00000000 0.20189089 0.57218074 1.0 Ru Ru29 1 0.00000000 0.79810911 0.57218074 1.0 Rh Rh30 1 0.50000000 0.50000000 0.69695763 1.0 Rh Rh31 1 0.00000000 0.00000000 0.30304237 1.0 Rh Rh32 1 0.50000000 0.87662466 0.71568363 1.0 Rh Rh33 1 0.50000000 0.12337534 0.71568363 1.0 Rh Rh34 1 0.00000000 0.62337534 0.28431637 1.0 Rh Rh35 1 0.00000000 0.37662466 0.28431637 1.0