# generated using pymatgen data_Tb16Ho3TmIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.85599260 _cell_length_b 10.85599260 _cell_length_c 6.37181881 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb16Ho3TmIr12 _chemical_formula_sum 'Tb16 Ho3 Tm1 Ir12' _cell_volume 750.93525684 _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 0.29064017 0.08790625 0.38558158 1.0 Tb Tb1 1 0.29095481 0.91189036 0.88575723 1.0 Tb Tb2 1 0.70904519 0.08810964 0.88575723 1.0 Tb Tb3 1 0.70935983 0.91209375 0.38558158 1.0 Tb Tb4 1 0.58815556 0.79127404 0.88563771 1.0 Tb Tb5 1 0.58802465 0.20883122 0.38558086 1.0 Tb Tb6 1 0.41197535 0.79116878 0.38558086 1.0 Tb Tb7 1 0.41184444 0.20872596 0.88563771 1.0 Tb Tb8 1 0.20883122 0.41197535 0.61441914 1.0 Tb Tb9 1 0.20872596 0.58815556 0.11436229 1.0 Tb Tb10 1 0.79127404 0.41184444 0.11436229 1.0 Tb Tb11 1 0.79116878 0.58802465 0.61441914 1.0 Tb Tb12 1 0.91189036 0.70904519 0.11424277 1.0 Tb Tb13 1 0.91209375 0.29064017 0.61441842 1.0 Tb Tb14 1 0.08790625 0.70935983 0.61441842 1.0 Tb Tb15 1 0.08810964 0.29095481 0.11424277 1.0 Ho Ho16 1 0.00000000 0.00000000 0.00000000 1.0 Ho Ho17 1 0.50000000 0.50000000 0.00000000 1.0 Ho Ho18 1 0.50000000 0.50000000 0.50000000 1.0 Tm Tm19 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir20 1 0.84806804 0.15172828 0.25091725 1.0 Ir Ir21 1 0.84827172 0.84806804 0.74908275 1.0 Ir Ir22 1 0.15172828 0.15193196 0.74908275 1.0 Ir Ir23 1 0.15193196 0.84827172 0.25091725 1.0 Ir Ir24 1 0.65214253 0.34731337 0.75028745 1.0 Ir Ir25 1 0.65268663 0.65214253 0.24971255 1.0 Ir Ir26 1 0.34731337 0.34785747 0.24971255 1.0 Ir Ir27 1 0.34785747 0.65268663 0.75028745 1.0 Ir Ir28 1 0.50000000 0.00000000 0.13095442 1.0 Ir Ir29 1 0.50000000 0.00000000 0.63102690 1.0 Ir Ir30 1 0.00000000 0.50000000 0.86904558 1.0 Ir Ir31 1 0.00000000 0.50000000 0.36897310 1.0