# generated using pymatgen data_Tb20TcBi8Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04327695 _cell_length_b 8.98612754 _cell_length_c 12.50660873 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.90232001 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb20TcBi8Ir3 _chemical_formula_sum 'Tb20 Tc1 Bi8 Ir3' _cell_volume 903.95025752 _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 0.84409643 0.75000000 0.79711151 1.0 Tb Tb1 1 0.15741448 0.25000000 0.20469768 1.0 Tb Tb2 1 0.34019011 0.25000000 0.70586854 1.0 Tb Tb3 1 0.66313777 0.75000000 0.29016804 1.0 Tb Tb4 1 0.37809334 0.75000000 0.69402185 1.0 Tb Tb5 1 0.62422267 0.25000000 0.30517925 1.0 Tb Tb6 1 0.87717623 0.25000000 0.80536384 1.0 Tb Tb7 1 0.12139942 0.75000000 0.19466986 1.0 Tb Tb8 1 0.94233511 0.75000000 0.50226656 1.0 Tb Tb9 1 0.05530614 0.25000000 0.49856989 1.0 Tb Tb10 1 0.44343482 0.25000000 0.99766272 1.0 Tb Tb11 1 0.55135432 0.75000000 0.00265176 1.0 Tb Tb12 1 0.67573500 0.04232856 0.56505632 1.0 Tb Tb13 1 0.32475099 0.95870160 0.43416923 1.0 Tb Tb14 1 0.17646483 0.95886141 0.93605405 1.0 Tb Tb15 1 0.32475099 0.54129840 0.43416923 1.0 Tb Tb16 1 0.82455880 0.03870667 0.06370883 1.0 Tb Tb17 1 0.67573500 0.45767144 0.56505632 1.0 Tb Tb18 1 0.82455880 0.46129333 0.06370883 1.0 Tb Tb19 1 0.17646483 0.54113859 0.93605405 1.0 Tc Tc20 1 0.92507010 0.75000000 0.01397659 1.0 Bi Bi21 1 0.56864298 0.49038739 0.82745144 1.0 Bi Bi22 1 0.43151045 0.50849587 0.17315547 1.0 Bi Bi23 1 0.06875667 0.51011443 0.67220276 1.0 Bi Bi24 1 0.43151045 0.99150413 0.17315547 1.0 Bi Bi25 1 0.93200930 0.48990645 0.32852730 1.0 Bi Bi26 1 0.56864298 0.00961261 0.82745144 1.0 Bi Bi27 1 0.93200930 0.01009355 0.32852730 1.0 Bi Bi28 1 0.06875667 0.98988557 0.67220276 1.0 Ir Ir29 1 0.56983593 0.75000000 0.50774116 1.0 Ir Ir30 1 0.43043029 0.25000000 0.49004521 1.0 Ir Ir31 1 0.07164880 0.25000000 0.98935775 1.0