5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.569029 2.409456 2.459016 1 1.280031 0.1374919 2.779238 1 3.588101 1.133333 2.932926 1 4.931515 2.722575 2.426382 1 3.330231 3.38172 3.93095