# generated using pymatgen data_Pr3Ta(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99607198 _cell_length_b 11.20284195 _cell_length_c 12.94993225 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Ta(P3Rh4)2 _chemical_formula_sum 'Pr6 Ta2 P12 Rh16' _cell_volume 579.73431610 _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 Pr Pr0 1 0.00000000 0.50000000 0.51911531 1.0 Pr Pr1 1 0.50000000 0.00000000 0.48088469 1.0 Pr Pr2 1 0.50000000 0.81939123 0.20349458 1.0 Pr Pr3 1 0.50000000 0.18060877 0.20349458 1.0 Pr Pr4 1 0.00000000 0.68060877 0.79650542 1.0 Pr Pr5 1 0.00000000 0.31939123 0.79650542 1.0 Ta Ta6 1 0.50000000 0.50000000 0.15586764 1.0 Ta Ta7 1 0.00000000 0.00000000 0.84413236 1.0 P P8 1 0.50000000 0.50000000 0.87964128 1.0 P P9 1 0.00000000 0.00000000 0.12035872 1.0 P P10 1 0.50000000 0.50000000 0.34385634 1.0 P P11 1 0.00000000 0.00000000 0.65614366 1.0 P P12 1 0.50000000 0.31007638 0.61581978 1.0 P P13 1 0.50000000 0.68992362 0.61581978 1.0 P P14 1 0.00000000 0.18992362 0.38418022 1.0 P P15 1 0.00000000 0.81007638 0.38418022 1.0 P P16 1 0.50000000 0.84646302 0.88926875 1.0 P P17 1 0.50000000 0.15353698 0.88926875 1.0 P P18 1 0.00000000 0.65353698 0.11073125 1.0 P P19 1 0.00000000 0.34646302 0.11073125 1.0 Rh Rh20 1 0.50000000 0.50000000 0.69841391 1.0 Rh Rh21 1 0.00000000 0.00000000 0.30158609 1.0 Rh Rh22 1 0.00000000 0.50000000 0.99102315 1.0 Rh Rh23 1 0.50000000 0.00000000 0.00897685 1.0 Rh Rh24 1 0.50000000 0.33204654 0.98784670 1.0 Rh Rh25 1 0.50000000 0.66795346 0.98784670 1.0 Rh Rh26 1 0.00000000 0.16795346 0.01215330 1.0 Rh Rh27 1 0.00000000 0.83204654 0.01215330 1.0 Rh Rh28 1 0.50000000 0.29025898 0.43171627 1.0 Rh Rh29 1 0.50000000 0.70974102 0.43171627 1.0 Rh Rh30 1 0.00000000 0.20974102 0.56828373 1.0 Rh Rh31 1 0.00000000 0.79025898 0.56828373 1.0 Rh Rh32 1 0.50000000 0.87636343 0.70860671 1.0 Rh Rh33 1 0.50000000 0.12363657 0.70860671 1.0 Rh Rh34 1 0.00000000 0.62363657 0.29139329 1.0 Rh Rh35 1 0.00000000 0.37636343 0.29139329 1.0