Xe 1.0000000000000000 2.7231807786917805 -0.0000000000000001 0.0000000000000000 -1.3615903893458903 2.3583437334445718 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.4470242976693504 Xe 2 Selective dynamics Cartesian -0.0000000136159046 1.5722291634908612 1.1117560744173376 T T T 1.3615903757299861 0.7861145856760035 3.3352682232520121 T T T