 Li F Ba
   1.0
     3.9704964600000001    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.9704964600000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    3.9704964600000001
 Li F Ba
   1   3   1
Direct
   0.5000000000000000  0.5000000000000000  0.5000000000000000
   0.0000000000000000  0.5000000000000000  0.5000000000000000
   0.5000000000000000  0.5000000000000000  0.0000000000000000
   0.5000000000000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000