6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.691051 2.220945 1.919277 1 2.666072 2.808957 4.219459 1 1.090931 4.286689 3.184511 1 3.947256 1.730986 2.765408 1 5.245402 2.932614 3.956238 1 3.932067 4.011287 2.276365