title CdS (Greenockite)
space P 63 M C
rmax=8.0          a= 4.1354  c= 6.749   gamma=120.0
core cd
atom
! At.type   x        y       z      tag
    Cd    0.0000  0.0000  0.0000 
    S     0.3333  0.6667  0.3750
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