# generated using pymatgen data_Tb2Th2Ga16Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18838959 _cell_length_b 6.18838959 _cell_length_c 11.16575388 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Th2Ga16Ir3 _chemical_formula_sum 'Tb2 Th2 Ga16 Ir3' _cell_volume 427.60556071 _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 0.50000000 0.00000000 0.19824998 1.0 Tb Tb1 1 0.00000000 0.50000000 0.19824998 1.0 Th Th2 1 0.50000000 0.00000000 0.80657861 1.0 Th Th3 1 0.00000000 0.50000000 0.80657861 1.0 Ga Ga4 1 0.25010681 0.25010681 0.61406647 1.0 Ga Ga5 1 0.74989319 0.74989319 0.61406647 1.0 Ga Ga6 1 0.74989319 0.25010681 0.61406647 1.0 Ga Ga7 1 0.25010681 0.74989319 0.61406647 1.0 Ga Ga8 1 0.75174707 0.75174707 0.37880579 1.0 Ga Ga9 1 0.24825293 0.24825293 0.37880579 1.0 Ga Ga10 1 0.24825293 0.75174707 0.37880579 1.0 Ga Ga11 1 0.75174707 0.24825293 0.37880579 1.0 Ga Ga12 1 0.28988399 0.28988399 0.00727816 1.0 Ga Ga13 1 0.71011601 0.71011601 0.00727816 1.0 Ga Ga14 1 0.71011601 0.28988399 0.00727816 1.0 Ga Ga15 1 0.28988399 0.71011601 0.00727816 1.0 Ga Ga16 1 0.50000000 0.50000000 0.80926423 1.0 Ga Ga17 1 0.50000000 0.50000000 0.20229935 1.0 Ga Ga18 1 0.00000000 0.00000000 0.76619238 1.0 Ga Ga19 1 0.00000000 0.00000000 0.22217800 1.0 Ir Ir20 1 0.50000000 0.00000000 0.49795542 1.0 Ir Ir21 1 0.00000000 0.50000000 0.49795542 1.0 Ir Ir22 1 0.00000000 0.00000000 0.99389537 1.0