6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.965438 2.618572 1.194827 1 1.728438 2.327042 2.925955 1 2.189414 4.329945 2.407266 1 3.949135 1.445792 2.998392 1 4.502281 4.108784 2.139004 1 4.146323 3.387836 4.449004