6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 3.095423 1.998262 0.8352723 1 3.003915 2.107064 3.861401 1 2.921301 4.877628 0.9226955 1 1.839297 3.508607 2.236053 1 4.200263 0.9739816 2.537715 1 4.333089 3.298954 2.357847