4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.552366 2.790577 1.400768 1 4.832027 4.629643 2.441187 1 3.731481 4.141612 0.1894686 1 3.770236 3.222941 3.734361