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 -0.0002279886896867
  0.5000000000000000  0.5000000000000000  0.4626329966803692
  0.5000000000000000  0.5000000000000000  0.0597014925373134
  0.5000000000000000  0.0000000000000000  0.5270249912805444
  0.0000000000000000  0.5000000000000000  0.5270249912805444
