Ti 1.0000000000000000 2.9716686945886743 0.0000000000000000 -0.0000000000000000 -1.4858343472943372 2.5735405811447327 0.0000000000000000 -0.0000000000000000 0.0000000000000000 4.7490840825913239 Ti 2 Selective dynamics Cartesian -0.0000000148583442 1.7156937293416239 1.1872710206478310 T T T 1.4858343324359937 0.8578468689600461 3.5618130619434938 T T T