 O Se Sm
   1.0
     3.9026039699999999    0.0000000000000000    0.0000000000000000
    -1.9513019899999999    3.3797541700000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.8863338299999999
 O Se Sm
   2   1   2
Direct
   0.3333333300000000  0.6666666700000000  0.6259368300000000
   0.6666666700000000  0.3333333300000000  0.3740631700000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.3333333300000000  0.6666666700000000  0.2889984400000000
   0.6666666700000000  0.3333333300000000  0.7110015599999999