P   LATTICE,NONEQUIV.ATOMS   4   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.618895 27.041603 12.805162 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25280000 Y=0.05533000 Z=0.10090000
          MULT= 8          ISPLIT= 8
      -1: X=0.74720000 Y=0.94467000 Z=0.89910000
      -1: X=0.75280000 Y=0.05533000 Z=0.39910000
      -1: X=0.24720000 Y=0.94467000 Z=0.60090000
      -1: X=0.24720000 Y=0.55533000 Z=0.10090000
      -1: X=0.75280000 Y=0.44467000 Z=0.89910000
      -1: X=0.74720000 Y=0.55533000 Z=0.39910000
      -1: X=0.25280000 Y=0.44467000 Z=0.60090000
Na         NPT=  781  R0=.000100000 RMT= 2.15        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.26652000 Y=0.32861000 Z=0.10528000
          MULT= 8          ISPLIT= 8
      -2: X=0.73348000 Y=0.67139000 Z=0.89472000
      -2: X=0.76652000 Y=0.32861000 Z=0.39472000
      -2: X=0.23348000 Y=0.67139000 Z=0.60528000
      -2: X=0.23348000 Y=0.82861000 Z=0.10528000
      -2: X=0.76652000 Y=0.17139000 Z=0.89472000
      -2: X=0.73348000 Y=0.82861000 Z=0.39472000
      -2: X=0.26652000 Y=0.17139000 Z=0.60528000
As         NPT=  781  R0=.000050000 RMT= 1.66        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.21610000 Y=0.09050000 Z=0.42870000
          MULT= 8          ISPLIT= 8
      -3: X=0.78390000 Y=0.90950000 Z=0.57130000
      -3: X=0.71610000 Y=0.09050000 Z=0.07130000
      -3: X=0.28390000 Y=0.90950000 Z=0.92870000
      -3: X=0.28390000 Y=0.59050000 Z=0.42870000
      -3: X=0.71610000 Y=0.40950000 Z=0.57130000
      -3: X=0.78390000 Y=0.59050000 Z=0.07130000
      -3: X=0.21610000 Y=0.40950000 Z=0.92870000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -4: X=0.06840000 Y=0.38020000 Z=0.30250000
          MULT= 8          ISPLIT= 8
      -4: X=0.93160000 Y=0.61980000 Z=0.69750000
      -4: X=0.56840000 Y=0.38020000 Z=0.19750000
      -4: X=0.43160000 Y=0.61980000 Z=0.80250000
      -4: X=0.43160000 Y=0.88020000 Z=0.30250000
      -4: X=0.56840000 Y=0.11980000 Z=0.69750000
      -4: X=0.93160000 Y=0.88020000 Z=0.19750000
      -4: X=0.06840000 Y=0.11980000 Z=0.80250000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000