TITLE ...

 HOLE 1   1.0   *  Fe K edge  (7112.0 eV), second number is S0^2

 *         mphase,mpath,mfeff,mchi
 CONTROL   1      1     1     1
 PRINT     1      0     0     0

 RMAX       10.0

 *CRITERIA     curved   plane
 *DEBYE        temp     debye-temp
 NLEG         4

 POTENTIALS
 *    ipot   Z  element
        0   26   Fe        
        1   26   Fe        
        2   16   S         

 ATOMS                          * this list contains 17 atoms
 *   x          y          z      ipot  tag              distance
    0.00000    0.00000    0.00000  0 Fe              0.00000
    0.45551   -1.41564    1.69862  2 S_1             2.25762
    0.46691   -0.89490   -2.02796  2 S_2             2.26528
   -2.20080    0.54586   -0.05675  2 S_3             2.26819
    1.22984    1.89648    0.28980  2 S_4             2.27884
    4.50570    0.54586    6.29555  2 S_5             7.76101
   -6.25099   -1.41564    4.54018  2 S_6             7.85443
   -6.23959   -0.89490   -5.18125  2 S_7             8.15958
   -5.47666    1.89648    5.94899  2 S_8             8.30548
    4.50570    0.54586   -7.15245  2 S_9             8.47094
    7.16201   -1.41564    4.54018  2 S_10            8.59719
    7.17341   -0.89490   -5.18125  2 S_11            8.89404
    6.70650    0.00000    6.23880  1 Fe_1            9.15968
   -6.70650    0.00000    6.23880  1 Fe_1            9.15968
   -5.47666    1.89648   -7.49901  2 S_12            9.47764
    6.70650    0.00000   -7.20920  1 Fe_2            9.84630
   -6.70650    0.00000   -7.20920  1 Fe_2            9.84630
 END