# generated using pymatgen data_Tb3Pr16CdIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.22734104 _cell_length_b 11.22734104 _cell_length_c 6.47297028 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Pr16CdIr12 _chemical_formula_sum 'Tb3 Pr16 Cd1 Ir12' _cell_volume 815.93853178 _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 0.00000000 0.00000000 0.00000000 1.0 Tb Tb1 1 0.50000000 0.50000000 0.00000000 1.0 Tb Tb2 1 0.50000000 0.50000000 0.50000000 1.0 Pr Pr3 1 0.27718351 0.08406513 0.38424339 1.0 Pr Pr4 1 0.29031892 0.91053718 0.88533609 1.0 Pr Pr5 1 0.70968108 0.08946282 0.88533609 1.0 Pr Pr6 1 0.72281649 0.91593487 0.38424339 1.0 Pr Pr7 1 0.59045345 0.79085382 0.88662189 1.0 Pr Pr8 1 0.58553710 0.20912437 0.38225156 1.0 Pr Pr9 1 0.41446290 0.79087563 0.38225156 1.0 Pr Pr10 1 0.40954655 0.20914618 0.88662189 1.0 Pr Pr11 1 0.20912437 0.41446290 0.61774844 1.0 Pr Pr12 1 0.20914618 0.59045345 0.11337811 1.0 Pr Pr13 1 0.79085382 0.40954655 0.11337811 1.0 Pr Pr14 1 0.79087563 0.58553710 0.61774844 1.0 Pr Pr15 1 0.91053718 0.70968108 0.11466391 1.0 Pr Pr16 1 0.91593487 0.27718351 0.61575661 1.0 Pr Pr17 1 0.08406513 0.72281649 0.61575661 1.0 Pr Pr18 1 0.08946282 0.29031892 0.11466391 1.0 Cd Cd19 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir20 1 0.85106917 0.15464945 0.23858794 1.0 Ir Ir21 1 0.84535055 0.85106917 0.76141206 1.0 Ir Ir22 1 0.15464945 0.14893083 0.76141206 1.0 Ir Ir23 1 0.14893083 0.84535055 0.23858794 1.0 Ir Ir24 1 0.64917081 0.35189293 0.74564309 1.0 Ir Ir25 1 0.64810707 0.64917081 0.25435691 1.0 Ir Ir26 1 0.35189293 0.35082919 0.25435691 1.0 Ir Ir27 1 0.35082919 0.64810707 0.74564309 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12223704 1.0 Ir Ir29 1 0.50000000 0.00000000 0.61220099 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87776296 1.0 Ir Ir31 1 0.00000000 0.50000000 0.38779901 1.0