| Z ||NEQ||   X    ||   Y    ||   Z    |
   42    1   1.43818   0.00000   0.00000
   42    1  -0.71909   1.24550   0.00000
   42    1  -0.71909  -1.24550   0.00000
    8    2  -1.69856   0.00000   1.06260
    8    2   0.84928  -1.47100   1.06260
    8    2   0.84928   1.47100   1.06260
    8    3   0.00000   0.00000  -1.40010
    8    4   3.17731   0.00000   1.25898
    8    4  -1.58865   2.75163   1.25898
    8    4  -1.58865  -2.75163   1.25898
    8    5   2.54512   1.29815  -1.30349
    8    5  -2.39679   1.55506  -1.30349
    8    5  -0.14833  -2.85321  -1.30349
    8    5   2.54512  -1.29815  -1.30349
    8    5  -0.14833   2.85321  -1.30349
    8    5  -2.39679  -1.55506  -1.30349
    1    6   3.20811   0.00000   2.21599
    1    6  -1.60406   2.77831   2.21599
    1    6  -1.60406  -2.77831   2.21599
    1    7   4.09607   0.00000   0.98938
    1    7  -2.04804   3.54730   0.98938
    1    7  -2.04804  -3.54730   0.98938
    1    8   3.43768   1.62428  -1.18615
    1    8  -3.12551   2.16498  -1.18615
    1    8  -0.31217  -3.78926  -1.18615
    1    8   3.43768  -1.62428  -1.18615
    1    8  -0.31217   3.78926  -1.18615
    1    8  -3.12551  -2.16498  -1.18615
    1    9   2.25694   1.68081  -2.13255
    1    9  -2.58409   1.11417  -2.13255
    1    9   0.32715  -2.79497  -2.13255
    1    9   2.25694  -1.68081  -2.13255
    1    9   0.32715   2.79497  -2.13255
    1    9  -2.58409  -1.11417  -2.13255
---------------------------------------------
|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 )
