6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.579635 2.597673 1.417691 1 1.984364 4.733105 2.421677 1 4.865502 3.038852 1.5778 1 3.649468 2.375686 3.336275 1 3.826511 5.11075 1.269058 1 4.176974 4.617806 3.508105