TITLE s92 input file for XPREP
SOURCE  Mo  0.71073   
CHEM    C13 H19 N2 P1 F6 
CELL    9.63250    16.63580    9.85850    90.0000    103.5910    90.0000 
CELLSD  0.00029     0.00059     0.00029     0.0000     0.0015     0.0000