4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.3816117 2.148684 2.733224 1 2.712897 0.4244761 0.4772031 1 2.541656 0.3986681 2.603311 1 2.733268 2.696855 1.756122