# generated using pymatgen data_Ti2Ga3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97643212 _cell_length_b 6.24279741 _cell_length_c 6.24279741 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Ga3 _chemical_formula_sum 'Ti4 Ga6' _cell_volume 154.97157839 _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 Ti Ti0 1 0.50000000 0.69645063 0.87276787 1.0 Ti Ti1 1 0.50000000 0.12723213 0.69645063 1.0 Ti Ti2 1 0.50000000 0.87276787 0.30354937 1.0 Ti Ti3 1 0.50000000 0.30354937 0.12723213 1.0 Ga Ga4 1 0.00000000 0.39580039 0.81765508 1.0 Ga Ga5 1 -0.00000000 0.81765508 0.60419961 1.0 Ga Ga6 1 -0.00000000 0.60419961 0.18234492 1.0 Ga Ga7 1 0.00000000 0.18234492 0.39580039 1.0 Ga Ga8 1 0.50000000 0.50000000 0.50000000 1.0 Ga Ga9 1 0.00000000 0.00000000 0.00000000 1.0