4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.5116978 0.3233127 0.9505368 1 2.536734 0.7827887 1.010712 1 1.79546 2.756928 0.1598621 1 1.984873 2.294545 2.252631