# generated using pymatgen data_Pr3Ti(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95909267 _cell_length_b 11.25686717 _cell_length_c 12.94849348 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Ti(P3Rh4)2 _chemical_formula_sum 'Pr6 Ti2 P12 Rh16' _cell_volume 577.07525305 _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 0.51914006 1.0 Pr Pr1 1 0.50000000 0.00000000 0.48085994 1.0 Pr Pr2 1 0.50000000 0.81896738 0.20305759 1.0 Pr Pr3 1 0.50000000 0.18103262 0.20305759 1.0 Pr Pr4 1 0.00000000 0.68103262 0.79694241 1.0 Pr Pr5 1 0.00000000 0.31896738 0.79694241 1.0 Ti Ti6 1 0.50000000 0.50000000 0.15444519 1.0 Ti Ti7 1 0.00000000 0.00000000 0.84555481 1.0 P P8 1 0.50000000 0.50000000 0.88268142 1.0 P P9 1 0.00000000 0.00000000 0.11731858 1.0 P P10 1 0.50000000 0.50000000 0.34389093 1.0 P P11 1 0.00000000 0.00000000 0.65610907 1.0 P P12 1 0.50000000 0.30921204 0.61554084 1.0 P P13 1 0.50000000 0.69078796 0.61554084 1.0 P P14 1 0.00000000 0.19078796 0.38445916 1.0 P P15 1 0.00000000 0.80921204 0.38445916 1.0 P P16 1 0.50000000 0.84687042 0.89061220 1.0 P P17 1 0.50000000 0.15312958 0.89061220 1.0 P P18 1 0.00000000 0.65312958 0.10938780 1.0 P P19 1 0.00000000 0.34687042 0.10938780 1.0 Rh Rh20 1 0.50000000 0.50000000 0.70050730 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29949270 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98857551 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01142449 1.0 Rh Rh24 1 0.50000000 0.33227919 0.99151173 1.0 Rh Rh25 1 0.50000000 0.66772081 0.99151173 1.0 Rh Rh26 1 0.00000000 0.16772081 0.00848827 1.0 Rh Rh27 1 0.00000000 0.83227919 0.00848827 1.0 Rh Rh28 1 0.50000000 0.29101468 0.43108137 1.0 Rh Rh29 1 0.50000000 0.70898532 0.43108137 1.0 Rh Rh30 1 0.00000000 0.20898532 0.56891863 1.0 Rh Rh31 1 0.00000000 0.79101468 0.56891863 1.0 Rh Rh32 1 0.50000000 0.87643979 0.70884942 1.0 Rh Rh33 1 0.50000000 0.12356021 0.70884942 1.0 Rh Rh34 1 0.00000000 0.62356021 0.29115058 1.0 Rh Rh35 1 0.00000000 0.37643979 0.29115058 1.0