Fe   S 
   1.00000000000000     
   5.4489838756499598   0.0000000000000000  -0.0170781087288576
   0.0000000000000000   5.2856410897804302   0.0000000000000000
   1.4347521297861099   0.0000000000000000   5.2567293315062198
Fe   S 
4  8  
Direct
  0.0000000040000003  0.0000000000000000  0.4999999839999987  
  0.5000000000000000  0.0000000000000000  0.0000000000000000  
  0.0000000000000000  0.5000000000000000  0.0000000000000000  
  0.4999999930000030  0.5000000000000000  0.4999999839999987  
  0.1037029704875962  0.3740873062693169  0.6037029344876004  
  0.8962971135124036  0.6259127377306868  0.3962969905124041  
  0.8962970525123950  0.8740872622693132  0.8962970185123993  
  0.1037029554875986  0.1259127487306841  0.1037029504875946  
  0.3962970105124057  0.6259127377306868  0.8962970185123993  
  0.6037029764875967  0.3740873062693169  0.1037029504875946  
  0.6037029704876034  0.1259127487306841  0.6037029344876004  
  0.3962969855124001  0.8740872622693132  0.3962969905124041  
