 N Ti Br
   1.0
     3.3357556700000002    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.9276150400000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    8.5190782600000006
 N Ti Br
   2   2   2
Direct
   0.0000000000000000  0.0000000000000000  0.9575843800000000
   0.5000000000000000  0.5000000000000000  0.0424156200000000
   0.0000000000000000  0.5000000000000000  0.9135367700000000
   0.5000000000000000  0.0000000000000000  0.0864632300000000
   0.5000000000000000  0.5000000000000000  0.6816789800000000
   0.0000000000000000  0.0000000000000000  0.3183210200000000