# generated using pymatgen data_Nd3Hf(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96694943 _cell_length_b 11.25165366 _cell_length_c 12.98268727 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Hf(P3Rh4)2 _chemical_formula_sum 'Nd6 Hf2 P12 Rh16' _cell_volume 579.47888524 _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 Nd Nd0 1 0.00000000 0.50000000 0.52196602 1.0 Nd Nd1 1 0.50000000 0.00000000 0.47803398 1.0 Nd Nd2 1 0.50000000 0.82014525 0.20270830 1.0 Nd Nd3 1 0.50000000 0.17985475 0.20270830 1.0 Nd Nd4 1 0.00000000 0.67985475 0.79729170 1.0 Nd Nd5 1 0.00000000 0.32014525 0.79729170 1.0 Hf Hf6 1 0.50000000 0.50000000 0.15608394 1.0 Hf Hf7 1 0.00000000 0.00000000 0.84391606 1.0 P P8 1 0.50000000 0.50000000 0.88060195 1.0 P P9 1 0.00000000 0.00000000 0.11939805 1.0 P P10 1 0.50000000 0.50000000 0.35444372 1.0 P P11 1 0.00000000 0.00000000 0.64555628 1.0 P P12 1 0.50000000 0.31015168 0.61549477 1.0 P P13 1 0.50000000 0.68984832 0.61549477 1.0 P P14 1 0.00000000 0.18984832 0.38450523 1.0 P P15 1 0.00000000 0.81015168 0.38450523 1.0 P P16 1 0.50000000 0.84336383 0.88997699 1.0 P P17 1 0.50000000 0.15663617 0.88997699 1.0 P P18 1 0.00000000 0.65663617 0.11002301 1.0 P P19 1 0.00000000 0.34336383 0.11002301 1.0 Rh Rh20 1 0.50000000 0.50000000 0.70024598 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29975402 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98909891 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01090109 1.0 Rh Rh24 1 0.50000000 0.33207112 0.99012364 1.0 Rh Rh25 1 0.50000000 0.66792888 0.99012364 1.0 Rh Rh26 1 0.00000000 0.16792888 0.00987636 1.0 Rh Rh27 1 0.00000000 0.83207112 0.00987636 1.0 Rh Rh28 1 0.50000000 0.29196545 0.43204023 1.0 Rh Rh29 1 0.50000000 0.70803455 0.43204023 1.0 Rh Rh30 1 0.00000000 0.20803455 0.56795977 1.0 Rh Rh31 1 0.00000000 0.79196545 0.56795977 1.0 Rh Rh32 1 0.50000000 0.87546596 0.70702587 1.0 Rh Rh33 1 0.50000000 0.12453404 0.70702587 1.0 Rh Rh34 1 0.00000000 0.62453404 0.29297413 1.0 Rh Rh35 1 0.00000000 0.37546596 0.29297413 1.0