# generated using pymatgen data_Tb5Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38694761 _cell_length_b 10.87634747 _cell_length_c 10.87641740 _cell_angle_alpha 89.99993889 _cell_angle_beta 89.99883752 _cell_angle_gamma 89.99968689 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Ir3 _chemical_formula_sum 'Tb20 Ir12' _cell_volume 755.54840555 _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 Tb Tb0 1 0.38455170 0.83858718 0.54193014 1.0 Tb Tb1 1 0.88455302 0.66141236 0.54192690 1.0 Tb Tb2 1 0.88454082 0.83858376 0.95807134 1.0 Tb Tb3 1 0.38454107 0.66141846 0.95806941 1.0 Tb Tb4 1 0.88455910 0.54189181 0.83855888 1.0 Tb Tb5 1 0.38455003 0.95810847 0.83855651 1.0 Tb Tb6 1 0.38455939 0.54188841 0.66143890 1.0 Tb Tb7 1 0.88455155 0.95811750 0.66143983 1.0 Tb Tb8 1 0.61544173 0.16150715 0.45803755 1.0 Tb Tb9 1 0.11544101 0.33849498 0.45804307 1.0 Tb Tb10 1 0.11545233 0.16151019 0.04196591 1.0 Tb Tb11 1 0.61545140 0.33848940 0.04196349 1.0 Tb Tb12 1 0.11544834 0.45799550 0.16148109 1.0 Tb Tb13 1 0.61545519 0.04200372 0.16148615 1.0 Tb Tb14 1 0.61544880 0.45800010 0.33852196 1.0 Tb Tb15 1 0.11545591 0.04199688 0.33851677 1.0 Tb Tb16 1 0.50001519 0.74999571 0.25001153 1.0 Tb Tb17 1 0.00001752 0.74998856 0.25000690 1.0 Tb Tb18 1 0.00001665 0.25000857 0.74999615 1.0 Tb Tb19 1 0.50002262 0.25000113 0.74999031 1.0 Ir Ir20 1 0.24999738 0.90360077 0.09650125 1.0 Ir Ir21 1 0.74999512 0.59640097 0.09649815 1.0 Ir Ir22 1 0.74999502 0.90360313 0.40349445 1.0 Ir Ir23 1 0.24999468 0.59639952 0.40349837 1.0 Ir Ir24 1 0.74999849 0.09654553 0.90356200 1.0 Ir Ir25 1 0.25000162 0.40345440 0.90356091 1.0 Ir Ir26 1 0.24999112 0.09654217 0.59644110 1.0 Ir Ir27 1 0.74999286 0.40346467 0.59643315 1.0 Ir Ir28 1 0.12893994 0.74998695 0.74999580 1.0 Ir Ir29 1 0.62894790 0.75000494 0.75000089 1.0 Ir Ir30 1 0.87103970 0.25000001 0.24999835 1.0 Ir Ir31 1 0.37103478 0.25000014 0.25000078 1.0