TITLE s92 input file for XPREP
SOURCE  Mo  0.71073   
CHEM    C18 H15 N1 O1 Fe1 
CELL    5.92370    10.57210    22.13420    90.0000    95.0625    90.0000 
CELLSD  0.00010     0.00020     0.00040     0.0000     0.0008     0.0000