6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.912622 1.78272 1.2568 1 2.727936 0.232034 3.207427 1 3.003232 2.746828 4.7469 1 4.479923 1.355966 2.983258 1 4.230826 3.711883 2.275883 1 5.441026 3.401037 4.285306