4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.246222 2.290872 1.652898 1 2.490841 4.854967 1.667579 1 4.844067 5.406569 1.389847 1 4.304953 3.186971 2.169551