# generated using pymatgen data_Tb16Zr4(IrRh3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.83037098 _cell_length_b 10.83037098 _cell_length_c 6.24210481 _cell_angle_alpha 90.07958306 _cell_angle_beta 90.07958306 _cell_angle_gamma 89.99236238 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb16Zr4(IrRh3)3 _chemical_formula_sum 'Tb16 Zr4 Ir3 Rh9' _cell_volume 732.17834690 _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 0.28932101 0.08928960 0.37812277 1.0 Tb Tb1 1 0.28929958 0.91052794 0.87790377 1.0 Tb Tb2 1 0.71124081 0.08711639 0.87858410 1.0 Tb Tb3 1 0.71027679 0.91042025 0.37835819 1.0 Tb Tb4 1 0.58581821 0.78768039 0.87986615 1.0 Tb Tb5 1 0.58635148 0.21138429 0.37891218 1.0 Tb Tb6 1 0.41337182 0.78850781 0.37831288 1.0 Tb Tb7 1 0.41195247 0.21141349 0.87886415 1.0 Tb Tb8 1 0.21231961 0.41418179 0.62013385 1.0 Tb Tb9 1 0.21149219 0.58662818 0.12168712 1.0 Tb Tb10 1 0.78861571 0.41364852 0.12108782 1.0 Tb Tb11 1 0.78858651 0.58804753 0.62113585 1.0 Tb Tb12 1 0.91071040 0.71067899 0.12187723 1.0 Tb Tb13 1 0.91288361 0.28875919 0.62141590 1.0 Tb Tb14 1 0.08947206 0.71070042 0.62209623 1.0 Tb Tb15 1 0.08957975 0.28972321 0.12164181 1.0 Zr Zr16 1 0.00011629 0.99972389 0.49969672 1.0 Zr Zr17 1 0.00027611 0.99988371 0.00030328 1.0 Zr Zr18 1 0.49940365 0.50006005 0.99989065 1.0 Zr Zr19 1 0.49993995 0.50059635 0.50010935 1.0 Ir Ir20 1 0.64501446 0.64368579 0.25017696 1.0 Ir Ir21 1 0.35631421 0.35498554 0.24982304 1.0 Ir Ir22 1 0.35462649 0.64537351 0.75000000 1.0 Rh Rh23 1 0.85641820 0.14358180 0.25000000 1.0 Rh Rh24 1 0.85624259 0.85697215 0.75018455 1.0 Rh Rh25 1 0.14302785 0.14375741 0.74981545 1.0 Rh Rh26 1 0.14335081 0.85664919 0.25000000 1.0 Rh Rh27 1 0.64515965 0.35484035 0.75000000 1.0 Rh Rh28 1 0.50021824 0.00062569 0.12201090 1.0 Rh Rh29 1 0.50027066 0.00104848 0.62326585 1.0 Rh Rh30 1 0.99895152 0.49972934 0.87673415 1.0 Rh Rh31 1 0.99937431 0.49978176 0.37798910 1.0