 O Ti Ba
   1.0
     3.9696731100000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.9696731100000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.0707500799999998
 O Ti Ba
   3   1   1
Direct
   0.5000000000000000  0.0000000000000000  0.4943802600000000
   0.0000000000000000  0.5000000000000000  0.4943802600000000
   0.0000000000000000  0.0000000000000000  0.9823334300000000
   0.0000000000000000  0.0000000000000000  0.5296726199999999
   0.5000000000000000  0.5000000000000000  0.0132334300000000