TITL UDel7Mo in P2(1)/c
CELL 0.71073 4.6880 15.1104 12.8275 90.000 97.727 90.000
ZERR 4.00 0.0011 0.0036 0.0030 0.000 0.003 0.000
LATT 1
SYMM -x, y+1/2, -z+1/2
SFAC C  H  N  O  F  Cl 
UNIT 32  12  4  4  20  4  
L.S. 4
EXTI 0.002874
ACTA 
BOND $H
FMAP 2
PLAN -2
CONF
SIZE 0.024 0.036 0.978
WGHT   0.024200   0.000000 
FVAR 0.202200 
TEMP -173.150
C1     1   1.079528   0.771143   0.594907  11.000000   0.020410 = 
           0.022950   0.020800  -0.001870   0.002140   0.005180
F1     5   1.233788   0.745149   0.685317  11.000000   0.027160 = 
           0.029090   0.026760  -0.000530  -0.007110   0.003020
C2     1   1.155213   0.849392   0.549874  11.000000   0.018540 = 
           0.022400   0.029160  -0.007230   0.002850  -0.002290
F2     5   1.378654   0.897145   0.596166  11.000000   0.024480 = 
           0.028630   0.042040  -0.006800  -0.000570  -0.007670
C3     1   0.999922   0.878697   0.457476  11.000000   0.027860 = 
           0.018170   0.029100  -0.000230   0.010210  -0.002450
F3     5   1.074932   0.953448   0.411903  11.000000   0.041110 = 
           0.023580   0.035550   0.003680   0.010420  -0.006520
C4     1   0.766340   0.830536   0.411758  11.000000   0.026510 = 
           0.025620   0.018390   0.000790   0.002380   0.002120
F4     5   0.608304   0.860296   0.323458  11.000000   0.040740 = 
           0.032460   0.024150   0.006060  -0.004050  -0.002080
C5     1   0.693956   0.752448   0.456786  11.000000   0.017340 = 
           0.023180   0.021230  -0.004470   0.002130  -0.000440
F5     5   0.465588   0.706620   0.410774  11.000000   0.021140 = 
           0.027280   0.027990  -0.001900  -0.002040  -0.003850
C6     1   0.850234   0.720330   0.548671  11.000000   0.018570 = 
           0.019410   0.022580  -0.000540   0.005960   0.001970
N1     3   0.773819   0.639554   0.592686  11.000000   0.015880 = 
           0.021300   0.024950   0.002950   0.006780   0.000350
AFIX 43
H1     2   0.597939   0.633205   0.608405  11.000000   0.031230
AFIX 0
C7     1   0.961914   0.571277   0.611656  11.000000   0.019040 = 
           0.022460   0.017250  -0.002590   0.001220   0.000410
O1     4   1.211893   0.575153   0.594169  11.000000   0.014920 = 
           0.025400   0.032720   0.001900   0.005920   0.000330
C8     1   0.830241   0.489688   0.654515  11.000000   0.017790 = 
           0.022030   0.026110   0.001200   0.003440   0.002140
AFIX 23
H3     2   0.694737   0.461917   0.598076  11.000000   0.032440
H2     2   0.720172   0.507102   0.711930  11.000000   0.034500
AFIX 0
Cl1    6   1.098839   0.412169   0.702920  11.000000   0.022700 = 
           0.024990   0.036360   0.006610   0.004980   0.004040
HKLF 4 1 1 0 0 0 1 0 0 0 1
END 
HKLF 4 1 1 0 0 0 1 0 0 0 1
REM  UDel7Mo in P2(1)/c
REM R1=  0.0273 for   1408 Fo > 4sig(Fo)  and  0.0358 for all   1653 data
REM    149 parameters refined using      0 restraints