# generated using pymatgen data_Sm3Hf(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95184997 _cell_length_b 11.19951852 _cell_length_c 12.91344692 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Hf(P3Rh4)2 _chemical_formula_sum 'Sm6 Hf2 P12 Rh16' _cell_volume 571.53388310 _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 0.52236654 1.0 Sm Sm1 1 0.50000000 0.00000000 0.47763346 1.0 Sm Sm2 1 0.50000000 0.82033703 0.20244645 1.0 Sm Sm3 1 0.50000000 0.17966297 0.20244645 1.0 Sm Sm4 1 0.00000000 0.67966297 0.79755355 1.0 Sm Sm5 1 0.00000000 0.32033703 0.79755355 1.0 Hf Hf6 1 0.50000000 0.50000000 0.15693000 1.0 Hf Hf7 1 0.00000000 0.00000000 0.84307000 1.0 P P8 1 0.50000000 0.50000000 0.87937097 1.0 P P9 1 0.00000000 0.00000000 0.12062903 1.0 P P10 1 0.50000000 0.50000000 0.35655861 1.0 P P11 1 0.00000000 0.00000000 0.64344139 1.0 P P12 1 0.50000000 0.31152254 0.61601840 1.0 P P13 1 0.50000000 0.68847746 0.61601840 1.0 P P14 1 0.00000000 0.18847746 0.38398160 1.0 P P15 1 0.00000000 0.81152254 0.38398160 1.0 P P16 1 0.50000000 0.84264332 0.88913790 1.0 P P17 1 0.50000000 0.15735668 0.88913790 1.0 P P18 1 0.00000000 0.65735668 0.11086210 1.0 P P19 1 0.00000000 0.34264332 0.11086210 1.0 Rh Rh20 1 0.50000000 0.50000000 0.69995218 1.0 Rh Rh21 1 0.00000000 0.00000000 0.30004782 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98917146 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01082854 1.0 Rh Rh24 1 0.50000000 0.33195812 0.98934261 1.0 Rh Rh25 1 0.50000000 0.66804188 0.98934261 1.0 Rh Rh26 1 0.00000000 0.16804188 0.01065739 1.0 Rh Rh27 1 0.00000000 0.83195812 0.01065739 1.0 Rh Rh28 1 0.50000000 0.29255727 0.43227234 1.0 Rh Rh29 1 0.50000000 0.70744273 0.43227234 1.0 Rh Rh30 1 0.00000000 0.20744273 0.56772766 1.0 Rh Rh31 1 0.00000000 0.79255727 0.56772766 1.0 Rh Rh32 1 0.50000000 0.87473588 0.70684837 1.0 Rh Rh33 1 0.50000000 0.12526412 0.70684837 1.0 Rh Rh34 1 0.00000000 0.62526412 0.29315163 1.0 Rh Rh35 1 0.00000000 0.37473588 0.29315163 1.0