5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.298469 1.653345 1.333865 1 0.8562694 1.609736 3.078689 1 0.6106735 3.571622 1.917701 1 2.573163 3.601998 2.791817 1 3.634663 1.831744 3.381139