TITLE s92 input file for XPREP
SOURCE  Mo  0.71073   
CHEM    Zr C22 H46 N2 O4 
CELL    25.22460    6.27850    10.92060    90.0000    94.6616    90.0000 
CELLSD  0.00230     0.00070     0.00110     0.0000     0.0067     0.0000