# generated using pymatgen data_Pa2TiGa6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22609210 _cell_length_b 6.22609117 _cell_length_c 6.22609221 _cell_angle_alpha 59.99999969 _cell_angle_beta 60.00000465 _cell_angle_gamma 59.99999814 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2TiGa6 _chemical_formula_sum 'Pa2 Ti1 Ga6' _cell_volume 170.65993465 _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 Pa Pa0 1 0.75000000 0.75000000 0.75000000 1.0 Pa Pa1 1 0.25000000 0.25000000 0.25000000 1.0 Ti Ti2 1 0.50000000 0.50000000 0.50000000 1.0 Ga Ga3 1 0.78765040 0.78765040 0.21234960 1.0 Ga Ga4 1 0.21234960 0.78765040 0.21234960 1.0 Ga Ga5 1 0.78765040 0.21234960 0.21234960 1.0 Ga Ga6 1 0.21234960 0.21234960 0.78765040 1.0 Ga Ga7 1 0.78765040 0.21234960 0.78765040 1.0 Ga Ga8 1 0.21234960 0.78765040 0.78765040 1.0