 O Ti Ba
   1.0
     3.9633164000000001    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.9633164000000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.0430561500000000
 O Ti Ba
   3   1   1
Direct
   0.0000000000000000  0.5000000000000000  0.0641796700000000
   0.5000000000000000  0.0000000000000000  0.0641796700000000
   0.0000000000000000  0.0000000000000000  0.5542141000000000
   0.0000000000000000  0.0000000000000000  0.0964643200000000
   0.5000000000000000  0.5000000000000000  0.5809622200000000
