6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.274506 0.3236661 2.677073 1 0.5953025 1.868691 3.011541 1 2.644287 1.363154 4.648241 1 2.19861 3.39541 3.518323 1 4.456442 1.578463 3.034766 1 3.361859 3.152961 1.75355