6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.4467477 0.434499 0.6495355 1 1.045521 0.08585342 2.314559 1 1.192787 2.478944 2.855919 1 2.996113 0.2043739 2.091587 1 2.935004 2.164039 0.1200611 1 2.862412 2.380014 2.301415