# generated using pymatgen data_Tb16Ho3MgIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.82907349 _cell_length_b 10.82907349 _cell_length_c 6.32131943 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb16Ho3MgIr12 _chemical_formula_sum 'Tb16 Ho3 Mg1 Ir12' _cell_volume 741.29375058 _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 0.28236970 0.08387275 0.38387909 1.0 Tb Tb1 1 0.29064566 0.91088250 0.88422186 1.0 Tb Tb2 1 0.70935434 0.08911750 0.88422186 1.0 Tb Tb3 1 0.71763030 0.91612725 0.38387909 1.0 Tb Tb4 1 0.59001582 0.79210672 0.88498220 1.0 Tb Tb5 1 0.58622690 0.20830543 0.38194657 1.0 Tb Tb6 1 0.41377310 0.79169457 0.38194657 1.0 Tb Tb7 1 0.40998418 0.20789328 0.88498220 1.0 Tb Tb8 1 0.20830543 0.41377310 0.61805343 1.0 Tb Tb9 1 0.20789328 0.59001582 0.11501780 1.0 Tb Tb10 1 0.79210672 0.40998418 0.11501780 1.0 Tb Tb11 1 0.79169457 0.58622690 0.61805343 1.0 Tb Tb12 1 0.91088250 0.70935434 0.11577814 1.0 Tb Tb13 1 0.91612725 0.28236970 0.61612091 1.0 Tb Tb14 1 0.08387275 0.71763030 0.61612091 1.0 Tb Tb15 1 0.08911750 0.29064566 0.11577814 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 Mg Mg19 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir20 1 0.84813467 0.15400849 0.24646205 1.0 Ir Ir21 1 0.84599151 0.84813467 0.75353795 1.0 Ir Ir22 1 0.15400849 0.15186533 0.75353795 1.0 Ir Ir23 1 0.15186533 0.84599151 0.24646205 1.0 Ir Ir24 1 0.65256876 0.34661875 0.74807124 1.0 Ir Ir25 1 0.65338125 0.65256876 0.25192876 1.0 Ir Ir26 1 0.34661875 0.34743124 0.25192876 1.0 Ir Ir27 1 0.34743124 0.65338125 0.74807124 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12974116 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62502131 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87025884 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37497869 1.0