O Ti 
 1.0000000000000000
     4.9272999999999998    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.9272999999999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.9272999999999998
 O   Ti 
   8   4
Cartesian
  2.0923346833059999  2.0923346833059999  2.0923346833059999
  0.3713153166940000  2.8349653166939999  4.5559846833059998
  2.8349653166939999  4.5559846833059998  0.3713153166940000
  4.5559846833059998  0.3713153166940000  2.8349653166939999
  2.8349653166939999  2.8349653166939999  2.8349653166939999
  4.5559846833059998  2.0923346833059999  0.3713153166940000
  2.0923346833059999  0.3713153166940000  4.5559846833059998
  0.3713153166940000  4.5559846833059998  2.0923346833059999
  0.0000000000000000  0.0000000000000000  0.0000000000000000
  2.4636499999999999  0.0000000000000000  2.4636499999999999
  0.0000000000000000  2.4636499999999999  2.4636499999999999
  2.4636499999999999  2.4636499999999999  0.0000000000000000