4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.5577694 2.945013 2.286605 1 2.630246 0.191498 2.174801 1 2.389079 2.171655 0.2590592 1 2.979224 2.829603 2.740156