# generated using pymatgen data_Sm3Lu(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97183838 _cell_length_b 11.27313164 _cell_length_c 12.94490407 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Lu(P3Rh4)2 _chemical_formula_sum 'Sm6 Lu2 P12 Rh16' _cell_volume 579.60881682 _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 0.52326855 1.0 Sm Sm1 1 0.50000000 0.00000000 0.47673145 1.0 Sm Sm2 1 0.50000000 0.82122244 0.20454745 1.0 Sm Sm3 1 0.50000000 0.17877756 0.20454745 1.0 Sm Sm4 1 0.00000000 0.67877756 0.79545255 1.0 Sm Sm5 1 0.00000000 0.32122244 0.79545255 1.0 Lu Lu6 1 0.50000000 0.50000000 0.15826301 1.0 Lu Lu7 1 0.00000000 0.00000000 0.84173699 1.0 P P8 1 0.50000000 0.50000000 0.88266145 1.0 P P9 1 0.00000000 0.00000000 0.11733855 1.0 P P10 1 0.50000000 0.50000000 0.36088647 1.0 P P11 1 0.00000000 0.00000000 0.63911353 1.0 P P12 1 0.50000000 0.31020769 0.61589771 1.0 P P13 1 0.50000000 0.68979231 0.61589771 1.0 P P14 1 0.00000000 0.18979231 0.38410229 1.0 P P15 1 0.00000000 0.81020769 0.38410229 1.0 P P16 1 0.50000000 0.84004419 0.89000123 1.0 P P17 1 0.50000000 0.15995581 0.89000123 1.0 P P18 1 0.00000000 0.65995581 0.10999877 1.0 P P19 1 0.00000000 0.34004419 0.10999877 1.0 Rh Rh20 1 0.50000000 0.50000000 0.70283683 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29716317 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98648201 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01351799 1.0 Rh Rh24 1 0.50000000 0.33134067 0.99064206 1.0 Rh Rh25 1 0.50000000 0.66865933 0.99064206 1.0 Rh Rh26 1 0.00000000 0.16865933 0.00935794 1.0 Rh Rh27 1 0.00000000 0.83134067 0.00935794 1.0 Rh Rh28 1 0.50000000 0.29188330 0.43280030 1.0 Rh Rh29 1 0.50000000 0.70811670 0.43280030 1.0 Rh Rh30 1 0.00000000 0.20811670 0.56719970 1.0 Rh Rh31 1 0.00000000 0.79188330 0.56719970 1.0 Rh Rh32 1 0.50000000 0.87371066 0.70531132 1.0 Rh Rh33 1 0.50000000 0.12628934 0.70531132 1.0 Rh Rh34 1 0.00000000 0.62628934 0.29468868 1.0 Rh Rh35 1 0.00000000 0.37371066 0.29468868 1.0