O Ti 
 1.0000000000000000
     5.0518999999999998    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.0518999999999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.0518999999999998
 O   Ti 
   8   4
Cartesian
  1.2629750000000000  1.2629750000000000  1.2629750000000000
  3.7889249999999999  3.7889249999999999  1.2629750000000000
  3.7889249999999999  1.2629750000000000  3.7889249999999999
  1.2629750000000000  3.7889249999999999  3.7889249999999999
  1.2629750000000000  1.2629750000000000  3.7889249999999999
  3.7889249999999999  3.7889249999999999  3.7889249999999999
  1.2629750000000000  3.7889249999999999  1.2629750000000000
  3.7889249999999999  1.2629750000000000  1.2629750000000000
  0.0000000000000000  0.0000000000000000  0.0000000000000000
  0.0000000000000000  2.5259499999999999  2.5259499999999999
  2.5259499999999999  0.0000000000000000  2.5259499999999999
  2.5259499999999999  2.5259499999999999  0.0000000000000000