# generated using pymatgen data_Sm3Tc(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93539741 _cell_length_b 11.12470157 _cell_length_c 12.77241392 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Tc(P3Rh4)2 _chemical_formula_sum 'Sm6 Tc2 P12 Rh16' _cell_volume 559.17783684 _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 0.52095321 1.0 Sm Sm1 1 0.50000000 0.00000000 0.47904679 1.0 Sm Sm2 1 0.50000000 0.81655256 0.20528131 1.0 Sm Sm3 1 0.50000000 0.18344744 0.20528131 1.0 Sm Sm4 1 0.00000000 0.68344744 0.79471869 1.0 Sm Sm5 1 0.00000000 0.31655256 0.79471869 1.0 Tc Tc6 1 0.50000000 0.50000000 0.15920040 1.0 Tc Tc7 1 0.00000000 0.00000000 0.84079960 1.0 P P8 1 0.50000000 0.50000000 0.87908958 1.0 P P9 1 0.00000000 0.00000000 0.12091042 1.0 P P10 1 0.50000000 0.50000000 0.34364955 1.0 P P11 1 0.00000000 0.00000000 0.65635045 1.0 P P12 1 0.50000000 0.31377204 0.61703605 1.0 P P13 1 0.50000000 0.68622796 0.61703605 1.0 P P14 1 0.00000000 0.18622796 0.38296395 1.0 P P15 1 0.00000000 0.81377204 0.38296395 1.0 P P16 1 0.50000000 0.84881226 0.88982158 1.0 P P17 1 0.50000000 0.15118774 0.88982158 1.0 P P18 1 0.00000000 0.65118774 0.11017842 1.0 P P19 1 0.00000000 0.34881226 0.11017842 1.0 Rh Rh20 1 0.50000000 0.50000000 0.70121346 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29878654 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98901993 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01098007 1.0 Rh Rh24 1 0.50000000 0.33144939 0.98634593 1.0 Rh Rh25 1 0.50000000 0.66855061 0.98634593 1.0 Rh Rh26 1 0.00000000 0.16855061 0.01365407 1.0 Rh Rh27 1 0.00000000 0.83144939 0.01365407 1.0 Rh Rh28 1 0.50000000 0.29584363 0.43113712 1.0 Rh Rh29 1 0.50000000 0.70415637 0.43113712 1.0 Rh Rh30 1 0.00000000 0.20415637 0.56886288 1.0 Rh Rh31 1 0.00000000 0.79584363 0.56886288 1.0 Rh Rh32 1 0.50000000 0.87638101 0.71068543 1.0 Rh Rh33 1 0.50000000 0.12361899 0.71068543 1.0 Rh Rh34 1 0.00000000 0.62361899 0.28931457 1.0 Rh Rh35 1 0.00000000 0.37638101 0.28931457 1.0