P   LATTICE,NONEQUIV.ATOMS  11    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 15.295443 15.013874 24.441718 90.000000 90.000000116.898000                   
ATOM  -1: X=0.33137000 Y=0.67247000 Z=0.29029000
          MULT= 2          ISPLIT= 8
      -1: X=0.66863000 Y=0.32753000 Z=0.79029000
Hg         NPT=  781  R0=.000005000 RMT= 2.45        Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.44978000 Y=0.52748000 Z=0.01935000
          MULT= 2          ISPLIT= 8
      -2: X=0.55022000 Y=0.47252000 Z=0.51935000
Hg         NPT=  781  R0=.000005000 RMT= 2.45        Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.05363000 Y=0.48797000 Z=0.55615000
          MULT= 2          ISPLIT= 8
      -3: X=0.94637000 Y=0.51203000 Z=0.05615000
Hg         NPT=  781  R0=.000005000 RMT= 2.45        Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.43212000 Y=0.02655000 Z=0.04831000
          MULT= 2          ISPLIT= 8
      -4: X=0.56788000 Y=0.97345000 Z=0.54831000
Hg         NPT=  781  R0=.000005000 RMT= 2.45        Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.90050000 Y=0.28850000 Z=0.31039000
          MULT= 2          ISPLIT= 8
      -5: X=0.09950000 Y=0.71150000 Z=0.81039000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.25630000 Y=0.32810000 Z=0.74445000
          MULT= 2          ISPLIT= 8
      -6: X=0.74370000 Y=0.67190000 Z=0.24445000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.37540000 Y=0.13210000 Z=0.30921000
          MULT= 2          ISPLIT= 8
      -7: X=0.62460000 Y=0.86790000 Z=0.80921000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.05130000 Y=0.10850000 Z=0.04449000
          MULT= 2          ISPLIT= 8
      -8: X=0.94870000 Y=0.89150000 Z=0.54449000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.00060000 Y=0.00250000 Z=0.33397000
          MULT= 2          ISPLIT= 8
      -9: X=0.99940000 Y=0.99750000 Z=0.83397000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.28170000 Y=0.68920000 Z=0.10142000
          MULT= 2          ISPLIT= 8
     -10: X=0.71830000 Y=0.31080000 Z=0.60142000
As         NPT=  781  R0=.000050000 RMT= 2.22        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.37100000 Y=0.65030000 Z=0.48070000
          MULT= 2          ISPLIT= 8
     -11: X=0.62900000 Y=0.34970000 Z=0.98070000
As         NPT=  781  R0=.000050000 RMT= 2.22        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000