R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.875135 22.875135 28.173924 90.000000 90.000000120.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.75000000 Y=0.75000000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.62572000 Y=0.87428000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.37428000 Y=0.12572000 Z=0.75000000
      -2: X=0.87428000 Y=0.25000000 Z=0.62572000
      -2: X=0.12572000 Y=0.75000000 Z=0.37428000
      -2: X=0.25000000 Y=0.62572000 Z=0.87428000
      -2: X=0.75000000 Y=0.37428000 Z=0.12572000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
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  -4: X=0.29339000 Y=0.94273000 Z=0.07075000
          MULT=12          ISPLIT= 8
      -4: X=0.70661000 Y=0.05727000 Z=0.92925000
      -4: X=0.94273000 Y=0.07075000 Z=0.29339000
      -4: X=0.05727000 Y=0.92925000 Z=0.70661000
      -4: X=0.79339000 Y=0.57075000 Z=0.44273000
      -4: X=0.20661000 Y=0.42925000 Z=0.55727000
      -4: X=0.07075000 Y=0.29339000 Z=0.94273000
      -4: X=0.92925000 Y=0.70661000 Z=0.05727000
      -4: X=0.57075000 Y=0.44273000 Z=0.79339000
      -4: X=0.42925000 Y=0.55727000 Z=0.20661000
      -4: X=0.44273000 Y=0.79339000 Z=0.57075000
      -4: X=0.55727000 Y=0.20661000 Z=0.42925000
Cl         NPT=  781  R0=.000100000 RMT= 2.29        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000