# generated using pymatgen data_PrTiP3Rh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93400857 _cell_length_b 11.00596117 _cell_length_c 12.57696132 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrTiP3Rh4 _chemical_formula_sum 'Pr4 Ti4 P12 Rh16' _cell_volume 544.55155616 _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 0.57891539 0.70400699 1.0 Pr Pr1 1 0.25000000 0.92108461 0.20400699 1.0 Pr Pr2 1 0.75000000 0.42108461 0.29599301 1.0 Pr Pr3 1 0.75000000 0.07891539 0.79599301 1.0 Ti Ti4 1 0.25000000 0.70385419 0.98967122 1.0 Ti Ti5 1 0.25000000 0.79614581 0.48967122 1.0 Ti Ti6 1 0.75000000 0.29614581 0.01032878 1.0 Ti Ti7 1 0.75000000 0.20385419 0.51032878 1.0 P P8 1 0.25000000 0.42085127 0.11493895 1.0 P P9 1 0.25000000 0.07914873 0.61493895 1.0 P P10 1 0.75000000 0.57914873 0.88506105 1.0 P P11 1 0.75000000 0.92085127 0.38506105 1.0 P P12 1 0.25000000 0.26557937 0.86823255 1.0 P P13 1 0.25000000 0.23442063 0.36823255 1.0 P P14 1 0.75000000 0.73442063 0.13176745 1.0 P P15 1 0.75000000 0.76557937 0.63176745 1.0 P P16 1 0.25000000 0.59893796 0.39265127 1.0 P P17 1 0.25000000 0.90106204 0.89265127 1.0 P P18 1 0.75000000 0.40106204 0.60734873 1.0 P P19 1 0.75000000 0.09893796 0.10734873 1.0 Rh Rh20 1 0.25000000 0.40544942 0.49001391 1.0 Rh Rh21 1 0.25000000 0.09455058 0.99001391 1.0 Rh Rh22 1 0.75000000 0.59455058 0.50998609 1.0 Rh Rh23 1 0.75000000 0.90544942 0.00998609 1.0 Rh Rh24 1 0.25000000 0.22946195 0.17972210 1.0 Rh Rh25 1 0.25000000 0.27053805 0.67972210 1.0 Rh Rh26 1 0.75000000 0.77053805 0.82027790 1.0 Rh Rh27 1 0.75000000 0.72946195 0.32027790 1.0 Rh Rh28 1 0.25000000 0.88524087 0.70074274 1.0 Rh Rh29 1 0.25000000 0.61475913 0.20074274 1.0 Rh Rh30 1 0.75000000 0.11475913 0.29925726 1.0 Rh Rh31 1 0.75000000 0.38524087 0.79925726 1.0 Rh Rh32 1 0.25000000 0.46178503 0.93455926 1.0 Rh Rh33 1 0.25000000 0.03821497 0.43455926 1.0 Rh Rh34 1 0.75000000 0.53821497 0.06544074 1.0 Rh Rh35 1 0.75000000 0.96178503 0.56544074 1.0