O Ti 1.0000000000000000 4.1747983062617866 -0.0000000000000001 0.0000000000000000 -2.0873991531308933 3.6154813888989534 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.7204484606858355 O Ti 1 2 Selective dynamics Cartesian 0.0000000000000000 0.0000000000000000 0.0000000000000000 T T T -0.0000000000000642 2.4103209259326617 1.4764754907468762 T T T 2.0873991531308933 1.2051604629663311 6.2439729699390671 T T T