6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.599025 3.051266 5.123232 1 1.56583 2.880417 3.388537 1 2.27514 4.963397 2.856014 1 3.509207 1.897473 3.301843 1 3.336514 3.219201 1.422465 1 4.208969 3.943636 3.692529