6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.396346 1.355978 3.097514 1 1.884272 1.266952 5.391976 1 2.390434 4.172173 2.083104 1 1.306064 3.125616 3.893724 1 3.942091 2.333761 1.80322 1 3.489943 3.083092 4.017618