# generated using pymatgen data_Pr6ZrP12Rh17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97833207 _cell_length_b 11.27921704 _cell_length_c 12.93972990 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr6ZrP12Rh17 _chemical_formula_sum 'Pr6 Zr1 P12 Rh17' _cell_volume 580.63765285 _cell_formula_units_Z 1 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 0.52359053 1.0 Pr Pr1 1 0.50000000 0.00000000 0.47847974 1.0 Pr Pr2 1 0.50000000 0.81965483 0.20651198 1.0 Pr Pr3 1 0.50000000 0.18034517 0.20651198 1.0 Pr Pr4 1 0.00000000 0.68076224 0.79610983 1.0 Pr Pr5 1 0.00000000 0.31923776 0.79610983 1.0 Zr Zr6 1 0.50000000 0.50000000 0.15496416 1.0 P P7 1 0.50000000 0.50000000 0.88054344 1.0 P P8 1 0.00000000 0.00000000 0.11434410 1.0 P P9 1 0.50000000 0.50000000 0.35599146 1.0 P P10 1 0.00000000 0.00000000 0.65298548 1.0 P P11 1 0.50000000 0.31070420 0.61741272 1.0 P P12 1 0.50000000 0.68929580 0.61741272 1.0 P P13 1 0.00000000 0.18978044 0.38614497 1.0 P P14 1 0.00000000 0.81021956 0.38614497 1.0 P P15 1 0.50000000 0.84934964 0.88965579 1.0 P P16 1 0.50000000 0.15065036 0.88965579 1.0 P P17 1 0.00000000 0.65915011 0.10533263 1.0 P P18 1 0.00000000 0.34084989 0.10533263 1.0 Rh Rh19 1 0.00000000 0.00000000 0.83070553 1.0 Rh Rh20 1 0.50000000 0.50000000 0.70165742 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29588218 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98842482 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01226043 1.0 Rh Rh24 1 0.50000000 0.33021329 0.98879773 1.0 Rh Rh25 1 0.50000000 0.66978671 0.98879773 1.0 Rh Rh26 1 0.00000000 0.16512047 0.00612709 1.0 Rh Rh27 1 0.00000000 0.83487953 0.00612709 1.0 Rh Rh28 1 0.50000000 0.29015241 0.43365248 1.0 Rh Rh29 1 0.50000000 0.70984759 0.43365248 1.0 Rh Rh30 1 0.00000000 0.20185398 0.57146441 1.0 Rh Rh31 1 0.00000000 0.79814602 0.57146441 1.0 Rh Rh32 1 0.50000000 0.87593244 0.71106454 1.0 Rh Rh33 1 0.50000000 0.12406756 0.71106454 1.0 Rh Rh34 1 0.00000000 0.62568595 0.29281218 1.0 Rh Rh35 1 0.00000000 0.37431405 0.29281218 1.0