R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 24.713840 24.713840 31.116230 90.000000 90.000000120.000000                   
ATOM  -1: X=0.27695000 Y=0.94096000 Z=0.07093000
          MULT=12          ISPLIT= 8
      -1: X=0.72305000 Y=0.05904000 Z=0.92907000
      -1: X=0.94096000 Y=0.07093000 Z=0.27695000
      -1: X=0.05904000 Y=0.92907000 Z=0.72305000
      -1: X=0.77695000 Y=0.57093000 Z=0.44096000
      -1: X=0.22305000 Y=0.42907000 Z=0.55904000
      -1: X=0.07093000 Y=0.27695000 Z=0.94096000
      -1: X=0.92907000 Y=0.72305000 Z=0.05904000
      -1: X=0.57093000 Y=0.44096000 Z=0.77695000
      -1: X=0.42907000 Y=0.55904000 Z=0.22305000
      -1: X=0.44096000 Y=0.77695000 Z=0.57093000
      -1: X=0.55904000 Y=0.22305000 Z=0.42907000
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=0.62027000 Y=0.87973000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.37973000 Y=0.12027000 Z=0.75000000
      -2: X=0.87973000 Y=0.25000000 Z=0.62027000
      -2: X=0.12027000 Y=0.75000000 Z=0.37973000
      -2: X=0.25000000 Y=0.62027000 Z=0.87973000
      -2: X=0.75000000 Y=0.37973000 Z=0.12027000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -3: X=0.75000000 Y=0.75000000 Z=0.75000000
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
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 2.50000     Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000