CELL   8.2800    8.2800    8.2800    90.000    90.000    90.000
Cr      Cr3+    0.6250    0.6250    0.6250
Zn      Zn2+    0.0000    0.0000    0.0000
O        8    0.3750    0.3750    0.3750
RGNR   227