# generated using pymatgen data_Sm3Zr(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95833796 _cell_length_b 11.22017773 _cell_length_c 12.92925078 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Zr(P3Rh4)2 _chemical_formula_sum 'Sm6 Zr2 P12 Rh16' _cell_volume 574.23011782 _cell_formula_units_Z 2 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 0.52273533 1.0 Sm Sm1 1 0.50000000 0.00000000 0.47726467 1.0 Sm Sm2 1 0.50000000 0.82024760 0.20265157 1.0 Sm Sm3 1 0.50000000 0.17975240 0.20265157 1.0 Sm Sm4 1 0.00000000 0.67975240 0.79734843 1.0 Sm Sm5 1 0.00000000 0.32024760 0.79734843 1.0 Zr Zr6 1 0.50000000 0.50000000 0.15733609 1.0 Zr Zr7 1 0.00000000 0.00000000 0.84266391 1.0 P P8 1 0.50000000 0.50000000 0.87979049 1.0 P P9 1 0.00000000 0.00000000 0.12020951 1.0 P P10 1 0.50000000 0.50000000 0.35755806 1.0 P P11 1 0.00000000 0.00000000 0.64244194 1.0 P P12 1 0.50000000 0.31139003 0.61592731 1.0 P P13 1 0.50000000 0.68860997 0.61592731 1.0 P P14 1 0.00000000 0.18860997 0.38407269 1.0 P P15 1 0.00000000 0.81139003 0.38407269 1.0 P P16 1 0.50000000 0.84211188 0.88948556 1.0 P P17 1 0.50000000 0.15788812 0.88948556 1.0 P P18 1 0.00000000 0.65788812 0.11051444 1.0 P P19 1 0.00000000 0.34211188 0.11051444 1.0 Rh Rh20 1 0.50000000 0.50000000 0.70016100 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29983900 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98772203 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01227797 1.0 Rh Rh24 1 0.50000000 0.33168953 0.98867101 1.0 Rh Rh25 1 0.50000000 0.66831047 0.98867101 1.0 Rh Rh26 1 0.00000000 0.16831047 0.01132899 1.0 Rh Rh27 1 0.00000000 0.83168953 0.01132899 1.0 Rh Rh28 1 0.50000000 0.29216555 0.43247542 1.0 Rh Rh29 1 0.50000000 0.70783445 0.43247542 1.0 Rh Rh30 1 0.00000000 0.20783445 0.56752458 1.0 Rh Rh31 1 0.00000000 0.79216555 0.56752458 1.0 Rh Rh32 1 0.50000000 0.87411470 0.70572646 1.0 Rh Rh33 1 0.50000000 0.12588530 0.70572646 1.0 Rh Rh34 1 0.00000000 0.62588530 0.29427354 1.0 Rh Rh35 1 0.00000000 0.37411470 0.29427354 1.0