# generated using pymatgen data_Tb2TiAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56433206 _cell_length_b 5.56433218 _cell_length_c 5.56433334 _cell_angle_alpha 61.20228955 _cell_angle_beta 61.20228850 _cell_angle_gamma 61.20228898 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2TiAl3 _chemical_formula_sum 'Tb2 Ti1 Al3' _cell_volume 125.11613443 _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 0.62778401 0.62778401 0.62778401 1.0 Tb Tb1 1 0.37221599 0.37221599 0.37221599 1.0 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1.0 Al Al3 1 0.00000000 0.50000000 0.00000000 1.0 Al Al4 1 0.50000000 0.00000000 0.00000000 1.0 Al Al5 1 0.00000000 0.00000000 0.50000000 1.0