# generated using pymatgen data_Tb4P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93406232 _cell_length_b 12.60527073 _cell_length_c 13.06453485 _cell_angle_alpha 99.07126316 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4P7Ir8 _chemical_formula_sum 'Tb8 P14 Ir16' _cell_volume 639.76635001 _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 Tb Tb0 1 0.75000000 0.20966807 0.56186752 1.0 Tb Tb1 1 0.25000000 0.79033193 0.43813248 1.0 Tb Tb2 1 0.75000000 0.51997737 0.70681229 1.0 Tb Tb3 1 0.25000000 0.48002263 0.29318771 1.0 Tb Tb4 1 0.75000000 0.27974401 0.89853635 1.0 Tb Tb5 1 0.25000000 0.72025599 0.10146365 1.0 Tb Tb6 1 0.75000000 0.10370209 0.20950260 1.0 Tb Tb7 1 0.25000000 0.89629791 0.79049740 1.0 P P8 1 0.75000000 0.74235432 0.91909349 1.0 P P9 1 0.25000000 0.25764568 0.08090651 1.0 P P10 1 0.75000000 0.90828542 0.58922916 1.0 P P11 1 0.25000000 0.09171458 0.41077084 1.0 P P12 1 0.75000000 0.52977529 0.12861325 1.0 P P13 1 0.25000000 0.47022471 0.87138675 1.0 P P14 1 0.75000000 0.84341401 0.28175939 1.0 P P15 1 0.25000000 0.15658599 0.71824061 1.0 P P16 1 0.75000000 0.60879276 0.43508818 1.0 P P17 1 0.25000000 0.39120724 0.56491182 1.0 P P18 1 0.75000000 0.31258195 0.31062118 1.0 P P19 1 0.25000000 0.68741805 0.68937882 1.0 P P20 1 0.75000000 0.05230741 0.89977291 1.0 P P21 1 0.25000000 0.94769259 0.10022709 1.0 Ir Ir22 1 0.75000000 0.34111173 0.14092423 1.0 Ir Ir23 1 0.25000000 0.65888827 0.85907577 1.0 Ir Ir24 1 0.75000000 0.73005202 0.60506957 1.0 Ir Ir25 1 0.25000000 0.26994798 0.39493043 1.0 Ir Ir26 1 0.75000000 0.91538140 0.00196195 1.0 Ir Ir27 1 0.25000000 0.08461860 0.99803805 1.0 Ir Ir28 1 0.75000000 0.42217783 0.47509651 1.0 Ir Ir29 1 0.25000000 0.57782217 0.52490349 1.0 Ir Ir30 1 0.75000000 0.06100976 0.72728388 1.0 Ir Ir31 1 0.25000000 0.93899024 0.27271612 1.0 Ir Ir32 1 0.75000000 0.55018343 0.95048187 1.0 Ir Ir33 1 0.25000000 0.44981657 0.04951813 1.0 Ir Ir34 1 0.75000000 0.66233921 0.27084712 1.0 Ir Ir35 1 0.25000000 0.33766079 0.72915288 1.0 Ir Ir36 1 0.75000000 0.98995081 0.42373546 1.0 Ir Ir37 1 0.25000000 0.01004919 0.57626454 1.0