6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.430797 0.9143471 3.003228 1 2.900858 2.600657 5.132587 1 1.698571 3.470708 2.452381 1 4.30988 2.177249 1.737833 1 5.127339 2.024866 3.874492 1 3.797222 3.704908 3.463102