Ba Ti O 
 1.0000000000000000
     4.0199999999999996    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.0199999999999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.0199999999999996
 Ba  Ti  O  
   1   1   3
Direct
  0.0000000000000000  0.0000000000000000 -0.0001139943448434
  0.5000000000000000  0.5000000000000000  0.4813164983401846
  0.5000000000000000  0.5000000000000000  0.0298507462686567
  0.5000000000000000  0.0000000000000000  0.5135124956402721
  0.0000000000000000  0.5000000000000000  0.5135124956402721
