# generated using pymatgen data_Pa4TiGa12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46956004 _cell_length_b 7.46907548 _cell_length_c 7.46907594 _cell_angle_alpha 109.46669489 _cell_angle_beta 109.47260685 _cell_angle_gamma 109.47261068 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa4TiGa12 _chemical_formula_sum 'Pa4 Ti1 Ga12' _cell_volume 320.78660907 _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 0.49999900 0.00000000 0.00000000 1.0 Pa Pa1 1 0.00000000 0.49999900 0.00000000 1.0 Pa Pa2 1 0.00000000 0.00000000 0.49999900 1.0 Pa Pa3 1 0.49999900 0.49999900 0.49999900 1.0 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1.0 Ga Ga5 1 0.29931739 0.29934583 0.00003024 1.0 Ga Ga6 1 0.70068261 0.70065417 0.99996976 1.0 Ga Ga7 1 0.74998305 0.50002150 0.25002481 1.0 Ga Ga8 1 0.50000000 0.74996817 0.25003183 1.0 Ga Ga9 1 0.29931739 0.00003024 0.29934583 1.0 Ga Ga10 1 0.00005828 0.29934604 0.29934604 1.0 Ga Ga11 1 0.74998305 0.25002481 0.50002150 1.0 Ga Ga12 1 0.25001695 0.74997519 0.49997850 1.0 Ga Ga13 1 0.70068261 0.99996976 0.70065417 1.0 Ga Ga14 1 0.99994172 0.70065396 0.70065396 1.0 Ga Ga15 1 0.50000000 0.25003183 0.74996817 1.0 Ga Ga16 1 0.25001695 0.49997850 0.74997519 1.0