 Ba Br Cl
   1.0
     7.9373863800000004    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.9294740199999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000   10.0204550099999992
 Ba Br Cl
   4   4   4
Direct
   0.7708105100000000  0.7500000000000000  0.0984913100000000
   0.2291894900000000  0.2500000000000000  0.9015086900000000
   0.2708105100000000  0.7500000000000000  0.4015086900000000
   0.7291894900000000  0.2500000000000000  0.5984913100000000
   0.8593031000000000  0.7500000000000000  0.4125792300000000
   0.1406969000000000  0.2500000000000000  0.5874207700000000
   0.3593031000000000  0.7500000000000000  0.0874207700000000
   0.6406969000000000  0.2500000000000000  0.9125792300000000
   0.9950412800000000  0.7500000000000000  0.8465742500000000
   0.0049587200000000  0.2500000000000000  0.1534257500000000
   0.4950412800000000  0.7500000000000000  0.6534257500000000
   0.5049587200000001  0.2500000000000000  0.3465742500000000