 F Br Ba
   1.0
     4.4830395000000003    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.4830395000000003    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.4192365400000000
 F Br Ba
   2   2   2
Direct
   0.5000000000000000  0.5000000000000000  0.0000000000000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.0000000000000000  0.6479723399999999
   0.0000000000000000  0.5000000000000000  0.3520276600000000
   0.0000000000000000  0.5000000000000000  0.8070351700000000
   0.5000000000000000  0.0000000000000000  0.1929648300000000