 La H Br
   1.0
     4.0593941400000002    0.0000000000000000    0.0000000000000000
    -2.0296970700000001    3.5155384500000002    0.0000000000000000
     0.0000000000000000    0.0000000000000000   14.1428011100000006
 La H Br
   2   2   4
Direct
   0.0000000000000000  0.0000000000000000  0.2500000000000000
   0.0000000000000000  0.0000000000000000  0.7500000000000000
   0.3333333300000000  0.6666666700000000  0.7500000000000000
   0.6666666700000000  0.3333333300000000  0.2500000000000000
   0.3333333300000000  0.6666666700000000  0.1141673200000000
   0.6666666700000000  0.3333333300000000  0.8858326800000000
   0.6666666700000000  0.3333333300000000  0.6141673200000000
   0.3333333300000000  0.6666666700000000  0.3858326800000000