5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.146488 0.2959799 2.352543 1 2.393537 2.53814 1.109639 1 1.99319 1.640865 4.12466 1 3.097066 3.51077 3.500726 1 3.970578 1.750203 2.795194