R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 24.058860 24.058860 29.930236 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
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.62670000 Y=0.87330000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.37330000 Y=0.12670000 Z=0.75000000
      -2: X=0.87330000 Y=0.25000000 Z=0.62670000
      -2: X=0.12670000 Y=0.75000000 Z=0.37330000
      -2: X=0.25000000 Y=0.62670000 Z=0.87330000
      -2: X=0.75000000 Y=0.37330000 Z=0.12670000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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=0.28900000 Y=0.94310000 Z=0.06970000
          MULT=12          ISPLIT= 8
      -4: X=0.71100000 Y=0.05690000 Z=0.93030000
      -4: X=0.94310000 Y=0.06970000 Z=0.28900000
      -4: X=0.05690000 Y=0.93030000 Z=0.71100000
      -4: X=0.78900000 Y=0.56970000 Z=0.44310000
      -4: X=0.21100000 Y=0.43030000 Z=0.55690000
      -4: X=0.06970000 Y=0.28900000 Z=0.94310000
      -4: X=0.93030000 Y=0.71100000 Z=0.05690000
      -4: X=0.56970000 Y=0.44310000 Z=0.78900000
      -4: X=0.43030000 Y=0.55690000 Z=0.21100000
      -4: X=0.44310000 Y=0.78900000 Z=0.56970000
      -4: X=0.55690000 Y=0.21100000 Z=0.43030000
Cl         NPT=  781  R0=.000100000 RMT= 2.38        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000