 Ba H Br O
   1.0
     4.5416881699999996    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.5416881699999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000   11.8413739000000007
 Ba H Br O
   2  10   2   6
Direct
   0.0000000000000000  0.5000000000000000  0.8120066300000000
   0.5000000000000000  0.0000000000000000  0.1879933700000000
   0.1840135500000000  0.0000000000000000  0.6271971400000000
   0.8159864500000000  0.0000000000000000  0.6271971400000000
   0.5000000000000000  0.6840135500000000  0.6271971400000000
   0.5000000000000000  0.3159864500000000  0.6271971400000000
   0.3159864500000000  0.5000000000000000  0.3728028600000000
   0.6840135500000000  0.5000000000000000  0.3728028600000000
   0.0000000000000000  0.8159864500000000  0.3728028600000000
   0.0000000000000000  0.1840135500000000  0.3728028600000000
   0.5000000000000000  0.0000000000000000  0.4906740000000000
   0.0000000000000000  0.5000000000000000  0.5093259999999999
   0.5000000000000000  0.0000000000000000  0.9054235900000001
   0.0000000000000000  0.5000000000000000  0.0945764100000000
   0.0000000000000000  0.0000000000000000  0.6773953600000000
   0.5000000000000000  0.5000000000000000  0.6773953600000000
   0.5000000000000000  0.5000000000000000  0.3226046400000000
   0.0000000000000000  0.0000000000000000  0.3226046400000000
   0.5000000000000000  0.0000000000000000  0.5729934800000001
   0.0000000000000000  0.5000000000000000  0.4270065200000000