# generated using pymatgen data_Sm6HfP12Rh17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95071618 _cell_length_b 11.18381657 _cell_length_c 12.82521937 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm6HfP12Rh17 _chemical_formula_sum 'Sm6 Hf1 P12 Rh17' _cell_volume 566.67058420 _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 0.00000000 0.50000000 0.52184220 1.0 Sm Sm1 1 0.50000000 0.00000000 0.47794030 1.0 Sm Sm2 1 0.50000000 0.81827066 0.20640565 1.0 Sm Sm3 1 0.50000000 0.18172934 0.20640565 1.0 Sm Sm4 1 0.00000000 0.68121403 0.79686379 1.0 Sm Sm5 1 0.00000000 0.31878597 0.79686379 1.0 Hf Hf6 1 0.50000000 0.50000000 0.15524619 1.0 P P7 1 0.50000000 0.50000000 0.87773196 1.0 P P8 1 0.00000000 0.00000000 0.11795388 1.0 P P9 1 0.50000000 0.50000000 0.35654984 1.0 P P10 1 0.00000000 0.00000000 0.65182791 1.0 P P11 1 0.50000000 0.31275548 0.61865278 1.0 P P12 1 0.50000000 0.68724452 0.61865278 1.0 P P13 1 0.00000000 0.18764408 0.38460155 1.0 P P14 1 0.00000000 0.81235592 0.38460155 1.0 P P15 1 0.50000000 0.84936917 0.88925910 1.0 P P16 1 0.50000000 0.15063083 0.88925910 1.0 P P17 1 0.00000000 0.65903889 0.10698451 1.0 P P18 1 0.00000000 0.34096111 0.10698451 1.0 Rh Rh19 1 0.00000000 0.00000000 0.83101602 1.0 Rh Rh20 1 0.50000000 0.50000000 0.69975047 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29754905 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98775897 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01546115 1.0 Rh Rh24 1 0.50000000 0.33063415 0.98791249 1.0 Rh Rh25 1 0.50000000 0.66936585 0.98791249 1.0 Rh Rh26 1 0.00000000 0.16513768 0.00747115 1.0 Rh Rh27 1 0.00000000 0.83486232 0.00747115 1.0 Rh Rh28 1 0.50000000 0.28955053 0.43408067 1.0 Rh Rh29 1 0.50000000 0.71044947 0.43408067 1.0 Rh Rh30 1 0.00000000 0.20136303 0.57064077 1.0 Rh Rh31 1 0.00000000 0.79863697 0.57064077 1.0 Rh Rh32 1 0.50000000 0.87496886 0.71002200 1.0 Rh Rh33 1 0.50000000 0.12503114 0.71002200 1.0 Rh Rh34 1 0.00000000 0.62581835 0.29179107 1.0 Rh Rh35 1 0.00000000 0.37418165 0.29179107 1.0