 O Br Sm
   1.0
     3.9092642600000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.9092642600000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    8.0547995199999995
 O Br Sm
   2   2   2
Direct
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.0000000000000000
   0.0000000000000000  0.5000000000000000  0.6578784500000000
   0.5000000000000000  0.0000000000000000  0.3421215500000000
   0.5000000000000000  0.0000000000000000  0.8547383300000000
   0.0000000000000000  0.5000000000000000  0.1452616700000000