4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.568329 2.374036 2.84115 1 2.585215 4.223663 1.237778 1 4.050363 2.582934 1.712612 1 3.258528 3.911947 3.864299