 O F Ti Ba
   1.0
     5.1394623299999997    0.0000000000000000    0.0000000000000000
     0.0000000000000000   13.6988824999999999    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.5294343799999996
 O F Ti Ba
   4  16   4   4
Direct
   0.0446069500000000  0.7500000000000000  0.5000000000000000
   0.9553930500000000  0.2500000000000000  0.0000000000000000
   0.9553930500000000  0.2500000000000000  0.5000000000000000
   0.0446069500000000  0.7500000000000000  0.0000000000000000
   0.1027097100000000  0.4144987300000000  0.7500000000000000
   0.1027097100000000  0.0855012700000000  0.2500000000000000
   0.8972902900000000  0.5855012700000000  0.2500000000000000
   0.8972902900000000  0.9144987300000000  0.7500000000000000
   0.3194946500000000  0.9187590500000000  0.5120847900000001
   0.3194946500000000  0.5812409500000000  0.4879152100000000
   0.6805053500000000  0.0812409500000000  0.0120847900000000
   0.6805053500000000  0.4187590500000000  0.9879152100000000
   0.6805053500000000  0.0812409500000000  0.4879152100000000
   0.6805053500000000  0.4187590500000000  0.5120847900000001
   0.3194946500000000  0.9187590500000000  0.9879152100000000
   0.3194946500000000  0.5812409500000000  0.0120847900000000
   0.5096184200000000  0.7640322200000000  0.7500000000000000
   0.5096184200000000  0.7359677800000000  0.2500000000000000
   0.4903815800000000  0.2359677800000000  0.2500000000000000
   0.4903815800000000  0.2640322200000000  0.7500000000000000
   0.1856770100000000  0.8234261600000000  0.7500000000000000
   0.1856770100000000  0.6765738400000000  0.2500000000000000
   0.8143229900000000  0.1765738400000000  0.2500000000000000
   0.8143229900000000  0.3234261600000000  0.7500000000000000
   0.2407898400000000  0.0931349300000000  0.7500000000000000
   0.2407898400000000  0.4068650700000000  0.2500000000000000
   0.7592101600000000  0.9068650700000001  0.2500000000000000
   0.7592101600000000  0.5931349299999999  0.7500000000000000