4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.016822 2.865015 1.800417 1 3.017685 2.615068 0.4874695 1 2.867855 3.717713 2.632514 1 4.355038 2.108121 2.666129