R   LATTICE,NONEQUIV.ATOMS   6  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 23.343787 23.343787 24.436046 90.000000 90.000000120.000000                   
ATOM  -1: X=0.20720000 Y=0.20720000 Z=0.20720000
          MULT= 2          ISPLIT= 4
      -1: X=0.79280000 Y=0.79280000 Z=0.79280000
Si         NPT=  781  R0=.000100000 RMT= 1.39        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08150000 Y=0.26530000 Z=0.85900000
          MULT= 6          ISPLIT= 8
      -2: X=0.91850000 Y=0.73470000 Z=0.14100000
      -2: X=0.26530000 Y=0.85900000 Z=0.08150000
      -2: X=0.73470000 Y=0.14100000 Z=0.91850000
      -2: X=0.85900000 Y=0.08150000 Z=0.26530000
      -2: X=0.14100000 Y=0.91850000 Z=0.73470000
Si         NPT=  781  R0=.000100000 RMT= 1.39        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.36110000 Y=0.36110000 Z=0.36110000
          MULT= 2          ISPLIT= 4
      -3: X=0.63890000 Y=0.63890000 Z=0.63890000
Cl         NPT=  781  R0=.000100000 RMT= 2.01        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=0.14440000 Y=0.46200000 Z=0.75210000
          MULT= 6          ISPLIT= 8
      -4: X=0.85560000 Y=0.53800000 Z=0.24790000
      -4: X=0.46200000 Y=0.75210000 Z=0.14440000
      -4: X=0.53800000 Y=0.24790000 Z=0.85560000
      -4: X=0.75210000 Y=0.14440000 Z=0.46200000
      -4: X=0.24790000 Y=0.85560000 Z=0.53800000
Cl         NPT=  781  R0=.000100000 RMT= 2.01        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  -5: X=0.17500000 Y=0.28180000 Z=0.03940000
          MULT= 6          ISPLIT= 8
      -5: X=0.82500000 Y=0.71820000 Z=0.96060000
      -5: X=0.28180000 Y=0.03940000 Z=0.17500000
      -5: X=0.71820000 Y=0.96060000 Z=0.82500000
      -5: X=0.03940000 Y=0.17500000 Z=0.28180000
      -5: X=0.96060000 Y=0.82500000 Z=0.71820000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.24610000 Y=0.87030000 Z=0.88960000
          MULT= 6          ISPLIT= 8
      -6: X=0.75390000 Y=0.12970000 Z=0.11040000
      -6: X=0.87030000 Y=0.88960000 Z=0.24610000
      -6: X=0.12970000 Y=0.11040000 Z=0.75390000
      -6: X=0.88960000 Y=0.24610000 Z=0.87030000
      -6: X=0.11040000 Y=0.75390000 Z=0.12970000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000