6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.331987 2.725643 2.897481 1 2.736578 2.541304 1.125105 1 1.73273 1.005545 4.481047 1 2.473311 4.730527 2.221702 1 3.99816 2.852734 3.21894 1 4.698265 3.839392 1.5336