R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.850234 23.850234 29.946487 90.000000 90.000000120.000000                   
ATOM  -1: X=0.28499000 Y=0.94215000 Z=0.07121000
          MULT=12          ISPLIT= 8
      -1: X=0.71501000 Y=0.05785000 Z=0.92879000
      -1: X=0.94215000 Y=0.07121000 Z=0.28499000
      -1: X=0.05785000 Y=0.92879000 Z=0.71501000
      -1: X=0.78499000 Y=0.57121000 Z=0.44215000
      -1: X=0.21501000 Y=0.42879000 Z=0.55785000
      -1: X=0.07121000 Y=0.28499000 Z=0.94215000
      -1: X=0.92879000 Y=0.71501000 Z=0.05785000
      -1: X=0.57121000 Y=0.44215000 Z=0.78499000
      -1: X=0.42879000 Y=0.55785000 Z=0.21501000
      -1: X=0.44215000 Y=0.78499000 Z=0.57121000
      -1: X=0.55785000 Y=0.21501000 Z=0.42879000
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=0.62360000 Y=0.87640000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.37640000 Y=0.12360000 Z=0.75000000
      -2: X=0.87640000 Y=0.25000000 Z=0.62360000
      -2: X=0.12360000 Y=0.75000000 Z=0.37640000
      -2: X=0.25000000 Y=0.62360000 Z=0.87640000
      -2: X=0.75000000 Y=0.37640000 Z=0.12360000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
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
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
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