O Ti 
 1.0000000000000000
     5.0147157814233090    0.0000000000000000   -0.0000000000000000
    -2.5073578907116545    4.3428712594713179   -0.0000000000000000
    -0.0000000000000000   -0.0000000000000000    4.8411566679603171
 O   Ti 
   1   6
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T
  3.3073346965226555  0.0000000000000000  3.6298668118889932   T   T   T
 -1.6536673482613284  2.8642358660063172  3.6298668118889932   T   T   T
  0.8536905424503257  1.4786353934650005  3.6298668118889932   T   T   T
 -0.8536905424503264  1.4786353934650005  1.2112898560713241   T   T   T
  1.7073810849006521  0.0000000000000000  1.2112898560713241   T   T   T
  1.6536673482613271  2.8642358660063172  1.2112898560713241   T   T   T