 Li Br
   1.0
     5.4072120400000001    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.4072120400000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.4072120400000001
 Li Br
   4   4
Direct
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.0000000000000000  0.5000000000000000  0.5000000000000000
   0.5000000000000000  0.0000000000000000  0.5000000000000000
   0.5000000000000000  0.5000000000000000  0.0000000000000000
   0.5000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.5000000000000000
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.5000000000000000  0.0000000000000000