5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.3890178 0.3060136 0.2686133 1 1.00003 0.111897 2.250713 1 0.4846776 2.300953 2.298336 1 2.957925 0.3909324 0.2522672 1 2.37443 2.221414 1.416157