R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 25.033203 25.033203 31.331657 90.000000 90.000000120.000000                   
ATOM  -1: X=0.28847000 Y=0.94352000 Z=0.06732000
          MULT=12          ISPLIT= 8
      -1: X=0.71153000 Y=0.05648000 Z=0.93268000
      -1: X=0.94352000 Y=0.06732000 Z=0.28847000
      -1: X=0.05648000 Y=0.93268000 Z=0.71153000
      -1: X=0.78847000 Y=0.56732000 Z=0.44352000
      -1: X=0.21153000 Y=0.43268000 Z=0.55648000
      -1: X=0.06732000 Y=0.28847000 Z=0.94352000
      -1: X=0.93268000 Y=0.71153000 Z=0.05648000
      -1: X=0.56732000 Y=0.44352000 Z=0.78847000
      -1: X=0.43268000 Y=0.55648000 Z=0.21153000
      -1: X=0.44352000 Y=0.78847000 Z=0.56732000
      -1: X=0.55648000 Y=0.21153000 Z=0.43268000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.63120000 Y=0.86880000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.36880000 Y=0.13120000 Z=0.75000000
      -2: X=0.86880000 Y=0.25000000 Z=0.63120000
      -2: X=0.13120000 Y=0.75000000 Z=0.36880000
      -2: X=0.25000000 Y=0.63120000 Z=0.86880000
      -2: X=0.75000000 Y=0.36880000 Z=0.13120000
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