# generated using pymatgen data_Tb17Zr2CdIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.83051332 _cell_length_b 10.83051332 _cell_length_c 6.26740792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb17Zr2CdIr12 _chemical_formula_sum 'Tb17 Zr2 Cd1 Ir12' _cell_volume 735.16706710 _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 0.28134227 0.08129132 0.38053125 1.0 Tb Tb1 1 0.29293886 0.91022168 0.87935926 1.0 Tb Tb2 1 0.70706114 0.08977832 0.87935926 1.0 Tb Tb3 1 0.71865773 0.91870868 0.38053125 1.0 Tb Tb4 1 0.58892158 0.78950353 0.88107682 1.0 Tb Tb5 1 0.58392054 0.21072255 0.37660106 1.0 Tb Tb6 1 0.41607946 0.78927745 0.37660106 1.0 Tb Tb7 1 0.41107842 0.21049647 0.88107682 1.0 Tb Tb8 1 0.21072255 0.41607946 0.62339894 1.0 Tb Tb9 1 0.21049647 0.58892158 0.11892318 1.0 Tb Tb10 1 0.78950353 0.41107842 0.11892318 1.0 Tb Tb11 1 0.78927745 0.58392054 0.62339894 1.0 Tb Tb12 1 0.91022168 0.70706114 0.12064074 1.0 Tb Tb13 1 0.91870868 0.28134227 0.61946875 1.0 Tb Tb14 1 0.08129132 0.71865773 0.61946875 1.0 Tb Tb15 1 0.08977832 0.29293886 0.12064074 1.0 Tb Tb16 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr17 1 0.50000000 0.50000000 0.00000000 1.0 Zr Zr18 1 0.50000000 0.50000000 0.50000000 1.0 Cd Cd19 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir20 1 0.84348092 0.15914158 0.24060438 1.0 Ir Ir21 1 0.84085842 0.84348092 0.75939562 1.0 Ir Ir22 1 0.15914158 0.15651908 0.75939562 1.0 Ir Ir23 1 0.15651908 0.84085842 0.24060438 1.0 Ir Ir24 1 0.64185474 0.35703834 0.74770292 1.0 Ir Ir25 1 0.64296166 0.64185474 0.25229708 1.0 Ir Ir26 1 0.35703834 0.35814526 0.25229708 1.0 Ir Ir27 1 0.35814526 0.64296166 0.74770292 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12688582 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62103363 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87311418 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37896637 1.0