5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.581885 1.428418 2.998356 1 2.14644 1.796808 5.429666 1 2.773837 4.089142 2.091611 1 4.654129 1.242937 4.425266 1 3.536635 3.29537 4.044312