P   LATTICE,NONEQUIV.ATOMS   7   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 40.003613  7.891496 16.055113 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12010000 Y=0.42300000 Z=0.74940000
          MULT= 4          ISPLIT= 8
      -1: X=0.87990000 Y=0.57700000 Z=0.24940000
      -1: X=0.37990000 Y=0.92300000 Z=0.24940000
      -1: X=0.62010000 Y=0.07700000 Z=0.74940000
C          NPT=  781  R0=.000100000 RMT= 1.54        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.30080000 Y=0.10760000 Z=0.24020000
          MULT= 4          ISPLIT= 8
      -2: X=0.69920000 Y=0.89240000 Z=0.74020000
      -2: X=0.19920000 Y=0.60760000 Z=0.74020000
      -2: X=0.80080000 Y=0.39240000 Z=0.24020000
Se         NPT=  781  R0=.000050000 RMT= 1.89        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.31006000 Y=0.13330000 Z=0.51820000
          MULT= 4          ISPLIT= 8
      -3: X=0.68994000 Y=0.86670000 Z=0.01820000
      -3: X=0.18994000 Y=0.63330000 Z=0.01820000
      -3: X=0.81006000 Y=0.36670000 Z=0.51820000
Se         NPT=  781  R0=.000050000 RMT= 1.89        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.09149000 Y=0.39620000 Z=0.95170000
          MULT= 4          ISPLIT= 8
      -4: X=0.90851000 Y=0.60380000 Z=0.45170000
      -4: X=0.40851000 Y=0.89620000 Z=0.45170000
      -4: X=0.59149000 Y=0.10380000 Z=0.95170000
Se         NPT=  781  R0=.000050000 RMT= 1.89        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.07501000 Y=0.27950000 Z=0.57350000
          MULT= 4          ISPLIT= 8
      -5: X=0.92499000 Y=0.72050000 Z=0.07350000
      -5: X=0.42499000 Y=0.77950000 Z=0.07350000
      -5: X=0.57501000 Y=0.22050000 Z=0.57350000
Se         NPT=  781  R0=.000050000 RMT= 1.89        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.51383000 Y=0.60950000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.48617000 Y=0.39050000 Z=0.75000000
      -6: X=0.98617000 Y=0.10950000 Z=0.75000000
      -6: X=0.01383000 Y=0.89050000 Z=0.25000000
Br         NPT=  781  R0=.000050000 RMT= 2.36        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.16980000 Y=0.47140000 Z=0.39940000
          MULT= 4          ISPLIT= 8
      -7: X=0.83020000 Y=0.52860000 Z=0.89940000
      -7: X=0.33020000 Y=0.97140000 Z=0.89940000
      -7: X=0.66980000 Y=0.02860000 Z=0.39940000
Br         NPT=  781  R0=.000050000 RMT= 2.36        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000