title name:     Iron sulfide (pyrite)
title formula:  FeS_2
title sites:    Fe1,S1
title refer1:   Elliot (1960) J.Chem. Phys. 33(3), 903.
title refer2:
title schoen:   T_h^6
title notes1:
space  P a 3
a    = 5.404
rmax = 6.00
core = Fe1
atom
Fe     0.00000   0.00000   0.00000  Fe1
S      0.38400   0.38400   0.38400  S1
------
