| Z ||NEQ||   X    ||   Y    ||   Z    |
   42    1   1.57905   0.00000   0.00000
   42    1  -0.78953   1.36750   0.00000
   42    1  -0.78953  -1.36750   0.00000
   16    2  -1.95087   0.00000   1.41100
   16    2   0.97543  -1.68950   1.41100
   16    2   0.97543   1.68950   1.41100
   16    3   0.00000   0.00000  -1.72300
    8    4   3.51725   0.00000   1.01741
    8    4  -1.75862   3.04603   1.01741
    8    4  -1.75862  -3.04603   1.01741
    8    5   2.73026   1.37559  -1.23538
    8    5  -2.55642   1.67668  -1.23538
    8    5  -0.17383  -3.05226  -1.23538
    8    5   2.73026  -1.37559  -1.23538
    8    5  -0.17383   3.05226  -1.23538
    8    5  -2.55642  -1.67668  -1.23538
    1    6   3.68432   0.00000   1.96022
    1    6  -1.84216   3.19072   1.96022
    1    6  -1.84216  -3.19072   1.96022
    1    7   4.38813   0.00000   0.61944
    1    7  -2.19406   3.80023   0.61944
    1    7  -2.19406  -3.80023   0.61944
    1    8   3.64135   1.64594  -1.11869
    1    8  -3.24611   2.33053  -1.11869
    1    8  -0.39525  -3.97648  -1.11869
    1    8   3.64135  -1.64594  -1.11869
    1    8  -0.39525   3.97648  -1.11869
    1    8  -3.24611  -2.33053  -1.11869
    1    9   2.43877   1.84562  -2.01699
    1    9  -2.81774   1.18923  -2.01699
    1    9   0.37897  -3.03485  -2.01699
    1    9   2.43877  -1.84562  -2.01699
    1    9   0.37897   3.03485  -2.01699
    1    9  -2.81774  -1.18923  -2.01699
---------------------------------------------
|NEQ||  CHG   ||U/D||   RD   ||   VD   |    1
---------------------------------------------
    0     Unit     (0:angstrom  1:atomic)
    0     Spin     (0:non-spin  1:spin  )
    0     M.P.     (0:No        1:Yes   )
    0     Sample Point ( <100000, =0 autoset )
