# generated using pymatgen data_PrTaP3Rh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96451074 _cell_length_b 11.07968818 _cell_length_c 12.52336546 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrTaP3Rh4 _chemical_formula_sum 'Pr4 Ta4 P12 Rh16' _cell_volume 550.09562559 _cell_formula_units_Z 4 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 0.25000000 0.58080000 0.70286964 1.0 Pr Pr1 1 0.25000000 0.91920000 0.20286964 1.0 Pr Pr2 1 0.75000000 0.41920000 0.29713036 1.0 Pr Pr3 1 0.75000000 0.08080000 0.79713036 1.0 Ta Ta4 1 0.25000000 0.70761141 0.98849328 1.0 Ta Ta5 1 0.25000000 0.79238859 0.48849328 1.0 Ta Ta6 1 0.75000000 0.29238859 0.01150672 1.0 Ta Ta7 1 0.75000000 0.20761141 0.51150672 1.0 P P8 1 0.25000000 0.41897264 0.11594603 1.0 P P9 1 0.25000000 0.08102736 0.61594603 1.0 P P10 1 0.75000000 0.58102736 0.88405397 1.0 P P11 1 0.75000000 0.91897264 0.38405397 1.0 P P12 1 0.25000000 0.26448355 0.87178576 1.0 P P13 1 0.25000000 0.23551645 0.37178576 1.0 P P14 1 0.75000000 0.73551645 0.12821424 1.0 P P15 1 0.75000000 0.76448355 0.62821424 1.0 P P16 1 0.25000000 0.59911394 0.39316841 1.0 P P17 1 0.25000000 0.90088606 0.89316841 1.0 P P18 1 0.75000000 0.40088606 0.60683159 1.0 P P19 1 0.75000000 0.09911394 0.10683159 1.0 Rh Rh20 1 0.25000000 0.40625305 0.49246007 1.0 Rh Rh21 1 0.25000000 0.09374695 0.99246007 1.0 Rh Rh22 1 0.75000000 0.59374695 0.50753993 1.0 Rh Rh23 1 0.75000000 0.90625305 0.00753993 1.0 Rh Rh24 1 0.25000000 0.22992934 0.18286277 1.0 Rh Rh25 1 0.25000000 0.27007066 0.68286277 1.0 Rh Rh26 1 0.75000000 0.77007066 0.81713723 1.0 Rh Rh27 1 0.75000000 0.72992934 0.31713723 1.0 Rh Rh28 1 0.25000000 0.89249500 0.70259699 1.0 Rh Rh29 1 0.25000000 0.60750500 0.20259699 1.0 Rh Rh30 1 0.75000000 0.10750500 0.29740301 1.0 Rh Rh31 1 0.75000000 0.39249500 0.79740301 1.0 Rh Rh32 1 0.25000000 0.46188313 0.93525293 1.0 Rh Rh33 1 0.25000000 0.03811687 0.43525293 1.0 Rh Rh34 1 0.75000000 0.53811687 0.06474707 1.0 Rh Rh35 1 0.75000000 0.96188313 0.56474707 1.0