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Unit Cell   5.289 5.289 10.423  90 90 90
Vol         291.57
Z           4
Space Group I -4 2 d
SG Number   122
Cryst Sys   tetragonal


Atom  #   OX   SITE      x           y           z           SOF      H
S    1  -2    8 d   0.250       0.250       0.125          1.         0   
Cu   1  +2    4 a   0.          0.          0.             1.         0   
Fe   1  +2    4 b   0.          0.          0.5            1.         0
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