No title                                
           1
    22.000000    0.000000    0.000000
     0.000000   15.000000    0.000000
     0.000000    0.000000   15.000000
   Br   Sn   H 
     3     1     1
Direct configuration=     1
   0.79789976  0.62650783  0.54194524
   0.74300985  0.40589881  0.41651358
   0.57831527  0.62701570  0.32827356
   0.71264955  0.56270448  0.45178753
   0.52895257  0.56002618  0.49232704