# generated using pymatgen data_Tb7Pr(P7Ir8)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93779700 _cell_length_b 12.62811525 _cell_length_c 13.10431728 _cell_angle_alpha 80.89197952 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb7Pr(P7Ir8)2 _chemical_formula_sum 'Tb7 Pr1 P14 Ir16' _cell_volume 643.42171516 _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 0.79073580 0.56208095 1.0 Tb Tb1 1 0.25000000 0.20960031 0.43850039 1.0 Tb Tb2 1 0.75000000 0.48018046 0.70690117 1.0 Tb Tb3 1 0.25000000 0.52041485 0.29365800 1.0 Tb Tb4 1 0.75000000 0.71933773 0.89854030 1.0 Tb Tb5 1 0.25000000 0.10411229 0.79026459 1.0 Tb Tb6 1 0.75000000 0.89644069 0.21051192 1.0 Pr Pr7 1 0.25000000 0.27909273 0.10149726 1.0 P P8 1 0.25000000 0.90825966 0.41112588 1.0 P P9 1 0.75000000 0.47158659 0.12901714 1.0 P P10 1 0.25000000 0.53042786 0.87065673 1.0 P P11 1 0.75000000 0.09183178 0.58940646 1.0 P P12 1 0.25000000 0.74120770 0.08053400 1.0 P P13 1 0.75000000 0.25536072 0.91572842 1.0 P P14 1 0.75000000 0.15692799 0.28332019 1.0 P P15 1 0.25000000 0.84380927 0.71788024 1.0 P P16 1 0.25000000 0.04843090 0.10038378 1.0 P P17 1 0.75000000 0.94606548 0.89925595 1.0 P P18 1 0.25000000 0.31294478 0.68893985 1.0 P P19 1 0.75000000 0.68776375 0.31119651 1.0 P P20 1 0.25000000 0.60924980 0.56489402 1.0 P P21 1 0.75000000 0.39178431 0.43645028 1.0 Ir Ir22 1 0.25000000 0.99012503 0.57632806 1.0 Ir Ir23 1 0.75000000 0.00989869 0.42409801 1.0 Ir Ir24 1 0.25000000 0.66295821 0.72843942 1.0 Ir Ir25 1 0.75000000 0.33944359 0.27401583 1.0 Ir Ir26 1 0.25000000 0.55214146 0.04904315 1.0 Ir Ir27 1 0.75000000 0.45343570 0.94808059 1.0 Ir Ir28 1 0.25000000 0.05980489 0.27322980 1.0 Ir Ir29 1 0.75000000 0.93907282 0.72697866 1.0 Ir Ir30 1 0.25000000 0.42268979 0.52534250 1.0 Ir Ir31 1 0.75000000 0.57838297 0.47550839 1.0 Ir Ir32 1 0.25000000 0.91339396 0.99704729 1.0 Ir Ir33 1 0.75000000 0.08213839 0.00078653 1.0 Ir Ir34 1 0.25000000 0.73002618 0.39539118 1.0 Ir Ir35 1 0.75000000 0.27007884 0.60511146 1.0 Ir Ir36 1 0.25000000 0.34155977 0.85804365 1.0 Ir Ir37 1 0.75000000 0.65928128 0.14180844 1.0