R   LATTICE,NONEQUIV.ATOMS   5  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 25.074775 25.074775 15.684722 90.000000 90.000000120.000000                   
ATOM  -1: X=0.31761000 Y=0.14294000 Z=0.82382000
          MULT= 6          ISPLIT= 8
      -1: X=0.68239000 Y=0.85706000 Z=0.17618000
      -1: X=0.14294000 Y=0.82382000 Z=0.31761000
      -1: X=0.85706000 Y=0.17618000 Z=0.68239000
      -1: X=0.82382000 Y=0.31761000 Z=0.14294000
      -1: X=0.17618000 Y=0.68239000 Z=0.85706000
Cd         NPT=  781  R0=.000010000 RMT= 2.28        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  -2: X=0.47807000 Y=0.14950000 Z=0.28863000
          MULT= 6          ISPLIT= 8
      -2: X=0.52193000 Y=0.85050000 Z=0.71137000
      -2: X=0.14950000 Y=0.28863000 Z=0.47807000
      -2: X=0.85050000 Y=0.71137000 Z=0.52193000
      -2: X=0.28863000 Y=0.47807000 Z=0.14950000
      -2: X=0.71137000 Y=0.52193000 Z=0.85050000
S          NPT=  781  R0=.000100000 RMT= 1.39        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.15790000 Y=0.27250000 Z=0.95840000
          MULT= 6          ISPLIT= 8
      -3: X=0.84210000 Y=0.72750000 Z=0.04160000
      -3: X=0.27250000 Y=0.95840000 Z=0.15790000
      -3: X=0.72750000 Y=0.04160000 Z=0.84210000
      -3: X=0.95840000 Y=0.15790000 Z=0.27250000
      -3: X=0.04160000 Y=0.84210000 Z=0.72750000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.52300000 Y=0.19239000 Z=0.13520000
          MULT= 6          ISPLIT= 8
      -4: X=0.47700000 Y=0.80761000 Z=0.86480000
      -4: X=0.19239000 Y=0.13520000 Z=0.52300000
      -4: X=0.80761000 Y=0.86480000 Z=0.47700000
      -4: X=0.13520000 Y=0.52300000 Z=0.19239000
      -4: X=0.86480000 Y=0.47700000 Z=0.80761000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.07720000 Y=0.36919000 Z=0.62030000
          MULT= 6          ISPLIT= 8
      -5: X=0.92280000 Y=0.63081000 Z=0.37970000
      -5: X=0.36919000 Y=0.62030000 Z=0.07720000
      -5: X=0.63081000 Y=0.37970000 Z=0.92280000
      -5: X=0.62030000 Y=0.07720000 Z=0.36919000
      -5: X=0.37970000 Y=0.92280000 Z=0.63081000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000