 H Li Ba
   1.0
     3.9586535299999999    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.9586535299999999    0.0000000000000000
     0.0000000000000000    0.0000000000000000    3.9586535299999999
 H Li Ba
   3   1   1
Direct
   0.0000000000000000  0.5000000000000000  0.0000000000000000
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.5000000000000000  0.0000000000000000  0.0000000000000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.5000000000000000