 O Ti Ba
   1.0
     5.6600791299999997    0.0000000000000000    0.0000000000000000
    -2.8300395599999999    4.9017723100000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.9578262300000002
 O Ti Ba
   9   3   3
Direct
   0.5023424800000000  0.4976575200000000  0.9862938300000000
   0.5023424800000000  0.0046849600000000  0.9862938300000000
   0.9953150400000000  0.4976575200000000  0.9862938300000000
   0.1690091400000000  0.8309908600000000  0.3196271600000000
   0.1690091400000000  0.3380183000000000  0.3196271600000000
   0.6619817000000000  0.8309908600000000  0.3196271600000000
   0.8356758100000000  0.1643241900000000  0.6529604900000000
   0.8356758100000000  0.6713516300000000  0.6529604900000000
   0.3286483700000000  0.1643241900000000  0.6529604900000000
   0.6666666700000000  0.3333333300000000  0.8453772400000000
   0.3333333300000000  0.6666666700000000  0.1787105700000000
   0.0000000000000000  0.0000000000000000  0.5120439100000000
   0.6666666700000000  0.3333333300000000  0.3335079500000000
   0.3333333300000000  0.6666666700000000  0.6668412800000000
   0.0000000000000000  0.0000000000000000  0.0001746200000000