# generated using pymatgen data_Tb3(B3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.93845517 _cell_length_b 9.10728917 _cell_length_c 5.57293165 _cell_angle_alpha 81.37244768 _cell_angle_beta 64.95821633 _cell_angle_gamma 33.66933632 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3(B3Ir4)2 _chemical_formula_sum 'Tb3 B6 Ir8' _cell_volume 231.91217147 _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 0.00000000 0.00000000 0.00000000 1.0 Tb Tb1 1 0.82153269 0.82153269 0.17846731 1.0 Tb Tb2 1 0.17846731 0.17846731 0.82153269 1.0 B B3 1 0.66997385 0.33002615 0.66997385 1.0 B B4 1 0.33002615 0.66997385 0.33002615 1.0 B B5 1 0.17362551 0.47769491 0.52230509 1.0 B B6 1 0.47769491 0.17362551 0.82637449 1.0 B B7 1 0.82637449 0.52230509 0.47769491 1.0 B B8 1 0.52230509 0.82637449 0.17362551 1.0 Ir Ir9 1 0.91403734 0.91403734 0.58596266 1.0 Ir Ir10 1 0.41369002 0.41369002 0.58630998 1.0 Ir Ir11 1 0.58630998 0.58630998 0.41369002 1.0 Ir Ir12 1 0.25000000 0.25000000 0.25000000 1.0 Ir Ir13 1 0.75000000 0.75000000 0.75000000 1.0 Ir Ir14 1 0.08596266 0.08596266 0.41403734 1.0 Ir Ir15 1 0.58596266 0.58596266 0.91403734 1.0 Ir Ir16 1 0.41403734 0.41403734 0.08596266 1.0