Fe2
1.0
   2.8282536733435513    0.0000000000000000    0.0000000000000002
   0.0000000000000005    2.8282536733435513    0.0000000000000002
   0.0000000000000000    0.0000000000000000    2.8282536733435513
Fe
2
direct
   0.0000000000000000    0.0000000000000000    0.0000000000000000 Fe
   0.5000000000000000    0.5000000000000000    0.5000000000000000 Fe
