4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.053874 2.225583 2.945298 1 1.808711 4.658327 2.287931 1 4.038397 2.121863 2.154331 1 3.514533 3.432892 3.895035