TITLE comment: None given
TITLE Source:  
TITLE Structure Summary:  Fe2 S4
TITLE Reduced formula:  FeS2
TITLE space group: (Pnnm), space number:  (58)
TITLE abc:  3.385200   4.447400   5.428700
TITLE angles: 90.000000  90.000000  90.000000
TITLE sites: 6
* 1 Fe     0.000000     0.000000     0.000000
* 2 Fe     0.500000     0.500000     0.500000
* 3 S     0.000000     0.199900     0.378040
* 4 S     0.000000     0.800100     0.621960
* 5 S     0.500000     0.699900     0.121960
* 6 S     0.500000     0.300100     0.878040

POTENTIALS 
  * pot    Z  tag      lmax1    lmax2    xnatph(stoichometry)    spinph
******-  **-  ****-  ******-  ******-  **********************  ********
      0   26  Fe          -1       -1                  0.0001         0
      1   26  Fe          -1       -1                  2              0
      2   16  S           -1       -1                  4              0
END


