# generated using pymatgen data_Tb5Pr3(P7Ir8)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94576017 _cell_length_b 12.71278954 _cell_length_c 13.10789866 _cell_angle_alpha 81.05933892 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Pr3(P7Ir8)2 _chemical_formula_sum 'Tb5 Pr3 P14 Ir16' _cell_volume 649.52450971 _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 Tb Tb0 1 0.75000000 0.79056991 0.56066782 1.0 Tb Tb1 1 0.25000000 0.20976478 0.43983174 1.0 Tb Tb2 1 0.75000000 0.48145444 0.70663943 1.0 Tb Tb3 1 0.25000000 0.51910677 0.29383667 1.0 Tb Tb4 1 0.75000000 0.71837514 0.89924583 1.0 Pr Pr5 1 0.25000000 0.10643410 0.78906951 1.0 Pr Pr6 1 0.75000000 0.89369865 0.21132442 1.0 Pr Pr7 1 0.25000000 0.28021668 0.10086608 1.0 P P8 1 0.25000000 0.90886577 0.41088478 1.0 P P9 1 0.75000000 0.47123523 0.12884930 1.0 P P10 1 0.25000000 0.53078951 0.87069085 1.0 P P11 1 0.75000000 0.09119121 0.58945074 1.0 P P12 1 0.25000000 0.74043255 0.08106170 1.0 P P13 1 0.75000000 0.25637460 0.91547441 1.0 P P14 1 0.75000000 0.15779342 0.28358690 1.0 P P15 1 0.25000000 0.84283829 0.71757666 1.0 P P16 1 0.25000000 0.05153027 0.09902594 1.0 P P17 1 0.75000000 0.94327075 0.90056173 1.0 P P18 1 0.25000000 0.31753262 0.68733814 1.0 P P19 1 0.75000000 0.68291962 0.31282885 1.0 P P20 1 0.25000000 0.60984493 0.56496493 1.0 P P21 1 0.75000000 0.39119978 0.43645208 1.0 Ir Ir22 1 0.25000000 0.98921464 0.57618941 1.0 Ir Ir23 1 0.75000000 0.01071747 0.42431233 1.0 Ir Ir24 1 0.25000000 0.66299320 0.72884896 1.0 Ir Ir25 1 0.75000000 0.33935722 0.27359685 1.0 Ir Ir26 1 0.25000000 0.55061925 0.04998036 1.0 Ir Ir27 1 0.75000000 0.45524205 0.94714973 1.0 Ir Ir28 1 0.25000000 0.06393347 0.27333220 1.0 Ir Ir29 1 0.75000000 0.93486723 0.72698610 1.0 Ir Ir30 1 0.25000000 0.42359000 0.52437073 1.0 Ir Ir31 1 0.75000000 0.57754405 0.47650668 1.0 Ir Ir32 1 0.25000000 0.91301094 0.99760336 1.0 Ir Ir33 1 0.75000000 0.08257942 0.00060551 1.0 Ir Ir34 1 0.25000000 0.72928323 0.39705587 1.0 Ir Ir35 1 0.75000000 0.27081506 0.60336598 1.0 Ir Ir36 1 0.25000000 0.34405494 0.85780325 1.0 Ir Ir37 1 0.75000000 0.65673782 0.14206315 1.0