H   LATTICE,NONEQUIV.ATOMS   4  163 P-31c                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.046669 13.046669 23.437139 90.000000 90.000000120.000000                   
ATOM  -1: X=0.66666667 Y=0.33333333 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.33333333 Y=0.66666667 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.36250000 Y=0.04560000 Z=0.12860000
          MULT=12          ISPLIT= 8
      -2: X=0.63750000 Y=0.95440000 Z=0.87140000
      -2: X=0.95440000 Y=0.31690000 Z=0.12860000
      -2: X=0.04560000 Y=0.68310000 Z=0.87140000
      -2: X=0.04560000 Y=0.36250000 Z=0.62860000
      -2: X=0.95440000 Y=0.63750000 Z=0.37140000
      -2: X=0.68310000 Y=0.63750000 Z=0.12860000
      -2: X=0.31690000 Y=0.36250000 Z=0.87140000
      -2: X=0.63750000 Y=0.68310000 Z=0.62860000
      -2: X=0.36250000 Y=0.31690000 Z=0.37140000
      -2: X=0.31690000 Y=0.95440000 Z=0.62860000
      -2: X=0.68310000 Y=0.04560000 Z=0.37140000
Cl         NPT=  781  R0=.000100000 RMT= 2.21        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  -3: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.04430000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.95570000
      -4: X=0.66666667 Y=0.33333333 Z=0.54430000
      -4: X=0.33333333 Y=0.66666667 Z=0.45570000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000