Ac2 Cl2 O2 
   1.0
     4.2500000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.2500000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.0800000000000001
   Ac Cl O 
   2 2 2 
Direct
  0.000000000000 0.500000000000 0.180000000000 
  0.500000000000 0.000000000000 0.820000000000 
  0.000000000000 0.500000000000 0.640000000000 
  0.500000000000 0.000000000000 0.360000000000 
  0.000000000000 0.000000000000 0.000000000000 
  0.500000000000 0.500000000000 0.000000000000 
