# generated using pymatgen data_Tb4LuIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.81966020 _cell_length_b 10.81966020 _cell_length_c 6.34189671 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4LuIr3 _chemical_formula_sum 'Tb16 Lu4 Ir12' _cell_volume 742.41443633 _cell_formula_units_Z 4 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 0.28956739 0.08676137 0.38225227 1.0 Tb Tb1 1 0.28956739 0.91323863 0.88225227 1.0 Tb Tb2 1 0.71043261 0.08676137 0.88225227 1.0 Tb Tb3 1 0.71043261 0.91323863 0.38225227 1.0 Tb Tb4 1 0.58676137 0.78956739 0.88225227 1.0 Tb Tb5 1 0.58676137 0.21043261 0.38225227 1.0 Tb Tb6 1 0.41323863 0.78956739 0.38225227 1.0 Tb Tb7 1 0.41323863 0.21043261 0.88225227 1.0 Tb Tb8 1 0.21043261 0.41323863 0.61774773 1.0 Tb Tb9 1 0.21043261 0.58676137 0.11774773 1.0 Tb Tb10 1 0.78956739 0.41323863 0.11774773 1.0 Tb Tb11 1 0.78956739 0.58676137 0.61774773 1.0 Tb Tb12 1 0.91323863 0.71043261 0.11774773 1.0 Tb Tb13 1 0.91323863 0.28956739 0.61774773 1.0 Tb Tb14 1 0.08676137 0.71043261 0.61774773 1.0 Tb Tb15 1 0.08676137 0.28956739 0.11774773 1.0 Lu Lu16 1 0.00000000 0.00000000 0.50000000 1.0 Lu Lu17 1 0.00000000 0.00000000 0.00000000 1.0 Lu Lu18 1 0.50000000 0.50000000 0.00000000 1.0 Lu Lu19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.84942178 0.15057822 0.25000000 1.0 Ir Ir21 1 0.84942178 0.84942178 0.75000000 1.0 Ir Ir22 1 0.15057822 0.15057822 0.75000000 1.0 Ir Ir23 1 0.15057822 0.84942178 0.25000000 1.0 Ir Ir24 1 0.65057822 0.34942178 0.75000000 1.0 Ir Ir25 1 0.65057822 0.65057822 0.25000000 1.0 Ir Ir26 1 0.34942178 0.34942178 0.25000000 1.0 Ir Ir27 1 0.34942178 0.65057822 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12712961 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62712961 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87287039 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37287039 1.0