 H Br Ba
   1.0
     4.4938770899999998    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.4938770899999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.2509986099999999
 H Br Ba
   2   2   2
Direct
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.0000000000000000
   0.5000000000000000  0.0000000000000000  0.6583026500000000
   0.0000000000000000  0.5000000000000000  0.3416973500000000
   0.0000000000000000  0.5000000000000000  0.8051284300000000
   0.5000000000000000  0.0000000000000000  0.1948715700000000