TITL P1                              P21/c
CELL  1.54178    5.5375    5.5660    8.0032    90.000   108.177    90.000
ZERR 1           0.0000    0.0000    0.0000     0.000     0.000     0.000
LATT   1
SYMM             - X ,    0.50000 + Y ,    0.50000 - Z
SFAC  C   2.31000  20.84392   1.02000  10.20751   1.58860   0.56870   0.86500 =
         51.65125   0.21560   0.01810   0.00910    89.900   0.68000  12.01000
SFAC  H   0.49300  10.51091   0.32291  26.12573   0.14019   3.14236   0.04081 =
         57.79977   0.00304   0.00000   0.00000     0.655   0.35000   1.00800
UNIT    12   12
FVAR    1.00000
C1    1  0.07703  0.69431  0.11408  11.0000   0.0500
AFIX 3
H1    2  0.13132  0.83433  0.20120 11.00000  0.05000
AFIX 0
C2    1 -0.17391  0.67949  0.00465  11.0000   0.0500
AFIX 3
H2    2 -0.30124  0.81162  0.00895 11.00000  0.05000
AFIX 0
C3    1  0.25118  0.51527  0.10937  11.0000   0.0500
AFIX 3
H3    2  0.43587  0.52716  0.18939 11.00000  0.05000
AFIX 0
HKLF 4 1 -0.2500 -0.2500  0.2500 -0.2500 -0.2500 -0.2500  0.7500 -0.2500 -0.2500
REM TRMX -0.250 -0.250  0.250 -0.250 -0.250 -0.250  0.750 -0.250 -0.250 mP  2
REM SPGR P21/c
END