Ti 1.0000000000000000 3.0021999999999820 0.0000000000000000 0.0000000000000000 -1.5010999999999910 2.5999814672416264 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.7782000000000000 Ti 2 Selective dynamics Cartesian -0.0000000150110002 1.7333209868276891 1.1945500000000000 T T T 1.5010999849889914 0.8666604977471473 3.5836500000000000 T T T