5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.593193 1.569284 2.84459 1 1.603337 4.216737 3.188357 1 3.675145 1.205287 1.773064 1 3.545696 2.526378 4.008338 1 3.206595 3.44318 2.117333