R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 24.628802 24.628802 30.742063 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: 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  -2: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -2: 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  -3: X=0.62590000 Y=0.87410000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.37410000 Y=0.12590000 Z=0.75000000
      -3: X=0.87410000 Y=0.25000000 Z=0.62590000
      -3: X=0.12590000 Y=0.75000000 Z=0.37410000
      -3: X=0.25000000 Y=0.62590000 Z=0.87410000
      -3: X=0.75000000 Y=0.37410000 Z=0.12590000
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  -4: X=0.28790000 Y=0.94070000 Z=0.06900000
          MULT=12          ISPLIT= 8
      -4: X=0.71210000 Y=0.05930000 Z=0.93100000
      -4: X=0.94070000 Y=0.06900000 Z=0.28790000
      -4: X=0.05930000 Y=0.93100000 Z=0.71210000
      -4: X=0.78790000 Y=0.56900000 Z=0.44070000
      -4: X=0.21210000 Y=0.43100000 Z=0.55930000
      -4: X=0.06900000 Y=0.28790000 Z=0.94070000
      -4: X=0.93100000 Y=0.71210000 Z=0.05930000
      -4: X=0.56900000 Y=0.44070000 Z=0.78790000
      -4: X=0.43100000 Y=0.55930000 Z=0.21210000
      -4: X=0.44070000 Y=0.78790000 Z=0.56900000
      -4: X=0.55930000 Y=0.21210000 Z=0.43100000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000