Fe
 1.0000000000000000
     1.2814574520880899   -2.2195494147543302    0.0000000000000000
     1.2814574520880899    2.2195494147543302    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.1352040203628198
 Fe 
   2
Cartesian
  1.2814574520880897  0.7398498049181250  1.0338010050907049
  1.2814574520880899 -0.7398498049181248  3.1014030152721146