Ac2 Br2 O2 
   1.0
     4.2800000000000002    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.2800000000000002    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.4100000000000001
   Ac Br O 
   2 2 2 
Direct
  0.000000000000 0.500000000000 0.160000000000 
  0.500000000000 0.000000000000 0.840000000000 
  0.000000000000 0.500000000000 0.640000000000 
  0.500000000000 0.000000000000 0.360000000000 
  0.000000000000 0.000000000000 0.000000000000 
  0.500000000000 0.500000000000 0.000000000000 
