FILEID collect      Tue Sep 28 1  4.00        11/02/04 13:08:20 04src0896r   
SITEID Southampton
TITLE  /home/diska/04src0896r                   
CHEM   C52 H47 O3 P4 F6 Pd Sb 
CELL     12.6768   26.3807   16.3337   89.9368   95.8907   90.1661   5433.487 
CELLSD    0.0036    0.0114    0.0054    0.0260    0.0270    0.0300     2.662 
ORT1     -6.7673800e-02  -1.9378200e-02   1.5951000e-03 
ORT2     -1.0654000e-03  -7.4404000e-03  -6.0098600e-02 
ORT3      4.1329700e-02  -3.1718200e-02   1.3182900e-02 
SOURCE MO     0.71073   0.70930   0.71359   2.00000    0.00    0.00 
LIMITS  -45.00   60.00 -210.00  210.00 -360.00  360.00 -100.00  100.00 -360.00  360.00 
MORPH  CutBlock
DNSMET ? 
CCOLOR  Yellow
CSIZE  0.17 x 0.08 x 0.06
ADPAR      312.5000    288.0000      4.500000000512 
ADCOR       -1.3703     -0.1903      0.0000     -0.5877      0.1154     -0.2220 
BRAVAIS Monoclinic(b-unique)  P  
FACE      1.00  0.00  0.00     0.100 
FACE     -1.00  0.00  0.00     0.040 
FACE      0.00  1.00  1.00     0.020 
FACE      0.00 -1.00 -1.00     0.050 
FACE      0.00  1.00 -1.00     0.010 
FACE      0.00 -1.00  1.00     0.060