# generated using pymatgen data_Tb2TiIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15894842 _cell_length_b 5.62527348 _cell_length_c 5.62527340 _cell_angle_alpha 59.99999465 _cell_angle_beta 56.96195271 _cell_angle_gamma 56.96194563 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2TiIr3 _chemical_formula_sum 'Tb2 Ti1 Ir3' _cell_volume 109.84572629 _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 0.74439081 0.75186940 0.75186940 1.0 Tb Tb1 1 0.50560919 0.49813060 0.49813060 1.0 Ti Ti2 1 0.62500000 0.12500000 0.12500000 1.0 Ir Ir3 1 0.12500000 0.62500000 0.12500000 1.0 Ir Ir4 1 0.12500000 0.12500000 0.62500000 1.0 Ir Ir5 1 0.12500000 0.12500000 0.12500000 1.0