4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.202318 1.231726 2.757655 1 0.8396636 2.003193 0.09633586 1 2.588342 1.167443 0.9025235 1 2.880528 2.949579 2.371797