4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.500338 2.7906 1.855645 1 0.2759319 4.819421 1.912518 1 2.741561 4.698408 2.586297 1 3.692301 2.569506 2.304209