# generated using pymatgen data_Tb3Be2SiIr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47118353 _cell_length_b 5.47118360 _cell_length_c 14.73202578 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000552 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Be2SiIr6 _chemical_formula_sum 'Tb6 Be4 Si2 Ir12' _cell_volume 381.90526860 _cell_formula_units_Z 2 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 0.33333300 0.66666700 0.53783501 1.0 Tb Tb1 1 0.66666700 0.33333300 0.46216499 1.0 Tb Tb2 1 0.66666700 0.33333300 0.03783501 1.0 Tb Tb3 1 0.33333300 0.66666700 0.96216499 1.0 Tb Tb4 1 0.33333300 0.66666700 0.75000000 1.0 Tb Tb5 1 0.66666700 0.33333300 0.25000000 1.0 Be Be6 1 0.00000000 0.00000000 0.25000000 1.0 Be Be7 1 0.00000000 0.00000000 0.75000000 1.0 Be Be8 1 0.33333300 0.66666700 0.25000000 1.0 Be Be9 1 0.66666700 0.33333300 0.75000000 1.0 Si Si10 1 0.00000000 0.00000000 0.00000000 1.0 Si Si11 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir12 1 0.16734814 0.33469727 0.13278966 1.0 Ir Ir13 1 0.83265186 0.66530273 0.86721034 1.0 Ir Ir14 1 0.66530273 0.83265186 0.13278966 1.0 Ir Ir15 1 0.83265186 0.66530273 0.63278966 1.0 Ir Ir16 1 0.33469727 0.16734814 0.86721034 1.0 Ir Ir17 1 0.16734814 0.33469727 0.36721034 1.0 Ir Ir18 1 0.16734814 0.83265186 0.13278966 1.0 Ir Ir19 1 0.33469727 0.16734814 0.63278966 1.0 Ir Ir20 1 0.83265186 0.16734814 0.86721034 1.0 Ir Ir21 1 0.66530273 0.83265186 0.36721034 1.0 Ir Ir22 1 0.83265186 0.16734814 0.63278966 1.0 Ir Ir23 1 0.16734814 0.83265186 0.36721034 1.0