# generated using pymatgen data_Tm3Hf(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90477299 _cell_length_b 11.09890490 _cell_length_c 12.76104816 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Hf(P3Rh4)2 _chemical_formula_sum 'Tm6 Hf2 P12 Rh16' _cell_volume 553.04729030 _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 Tm Tm0 1 0.00000000 0.50000000 0.52374582 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47625418 1.0 Tm Tm2 1 0.50000000 0.82060559 0.20213034 1.0 Tm Tm3 1 0.50000000 0.17939441 0.20213034 1.0 Tm Tm4 1 0.00000000 0.67939441 0.79786966 1.0 Tm Tm5 1 0.00000000 0.32060559 0.79786966 1.0 Hf Hf6 1 0.50000000 0.50000000 0.15900718 1.0 Hf Hf7 1 0.00000000 0.00000000 0.84099282 1.0 P P8 1 0.50000000 0.50000000 0.87638708 1.0 P P9 1 0.00000000 0.00000000 0.12361292 1.0 P P10 1 0.50000000 0.50000000 0.36130981 1.0 P P11 1 0.00000000 0.00000000 0.63869019 1.0 P P12 1 0.50000000 0.31450069 0.61751771 1.0 P P13 1 0.50000000 0.68549931 0.61751771 1.0 P P14 1 0.00000000 0.18549931 0.38248229 1.0 P P15 1 0.00000000 0.81450069 0.38248229 1.0 P P16 1 0.50000000 0.84111779 0.88700907 1.0 P P17 1 0.50000000 0.15888221 0.88700907 1.0 P P18 1 0.00000000 0.65888221 0.11299093 1.0 P P19 1 0.00000000 0.34111779 0.11299093 1.0 Rh Rh20 1 0.50000000 0.50000000 0.69877661 1.0 Rh Rh21 1 0.00000000 0.00000000 0.30122339 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98853872 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01146128 1.0 Rh Rh24 1 0.50000000 0.33173944 0.98636882 1.0 Rh Rh25 1 0.50000000 0.66826056 0.98636882 1.0 Rh Rh26 1 0.00000000 0.16826056 0.01363118 1.0 Rh Rh27 1 0.00000000 0.83173944 0.01363118 1.0 Rh Rh28 1 0.50000000 0.29403222 0.43309330 1.0 Rh Rh29 1 0.50000000 0.70596778 0.43309330 1.0 Rh Rh30 1 0.00000000 0.20596778 0.56690670 1.0 Rh Rh31 1 0.00000000 0.79403222 0.56690670 1.0 Rh Rh32 1 0.50000000 0.87271025 0.70617282 1.0 Rh Rh33 1 0.50000000 0.12728975 0.70617282 1.0 Rh Rh34 1 0.00000000 0.62728975 0.29382718 1.0 Rh Rh35 1 0.00000000 0.37271025 0.29382718 1.0