# generated using pymatgen data_Tb19InIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.85543250 _cell_length_b 10.85543250 _cell_length_c 6.34028809 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb19InIr12 _chemical_formula_sum 'Tb19 In1 Ir12' _cell_volume 747.14217824 _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 0.28277460 0.08414478 0.38549954 1.0 Tb Tb1 1 0.29171043 0.90994317 0.88605522 1.0 Tb Tb2 1 0.70828957 0.09005683 0.88605522 1.0 Tb Tb3 1 0.71722540 0.91585522 0.38549954 1.0 Tb Tb4 1 0.59028457 0.79269564 0.88714873 1.0 Tb Tb5 1 0.58698657 0.20785221 0.38265992 1.0 Tb Tb6 1 0.41301343 0.79214779 0.38265992 1.0 Tb Tb7 1 0.40971543 0.20730436 0.88714873 1.0 Tb Tb8 1 0.20785221 0.41301343 0.61734008 1.0 Tb Tb9 1 0.20730436 0.59028457 0.11285127 1.0 Tb Tb10 1 0.79269564 0.40971543 0.11285127 1.0 Tb Tb11 1 0.79214779 0.58698657 0.61734008 1.0 Tb Tb12 1 0.90994317 0.70828957 0.11394478 1.0 Tb Tb13 1 0.91585522 0.28277460 0.61450046 1.0 Tb Tb14 1 0.08414478 0.71722540 0.61450046 1.0 Tb Tb15 1 0.09005683 0.29171043 0.11394478 1.0 Tb Tb16 1 0.00000000 0.00000000 0.00000000 1.0 Tb Tb17 1 0.50000000 0.50000000 0.00000000 1.0 Tb Tb18 1 0.50000000 0.50000000 0.50000000 1.0 In In19 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir20 1 0.84647925 0.15619136 0.24544439 1.0 Ir Ir21 1 0.84380864 0.84647925 0.75455561 1.0 Ir Ir22 1 0.15619136 0.15352075 0.75455561 1.0 Ir Ir23 1 0.15352075 0.84380864 0.24544439 1.0 Ir Ir24 1 0.65398836 0.34595796 0.74711038 1.0 Ir Ir25 1 0.65404204 0.65398836 0.25288962 1.0 Ir Ir26 1 0.34595796 0.34601164 0.25288962 1.0 Ir Ir27 1 0.34601164 0.65404204 0.74711038 1.0 Ir Ir28 1 0.50000000 0.00000000 0.13245055 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62660682 1.0 Ir Ir30 1 0.00000000 0.50000000 0.86754945 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37339318 1.0