P   LATTICE,NONEQUIV.ATOMS   6   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 25.379022 12.458964  9.699964 90.000000 90.000000 97.890000                   
ATOM  -1: X=0.05100000 Y=0.17400000 Z=0.27500000
          MULT= 4          ISPLIT= 8
      -1: X=0.94900000 Y=0.82600000 Z=0.72500000
      -1: X=0.44900000 Y=0.32600000 Z=0.77500000
      -1: X=0.55100000 Y=0.67400000 Z=0.22500000
Sb         NPT=  781  R0=.000010000 RMT= 1.91        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20300000 Y=0.80600000 Z=0.37500000
          MULT= 4          ISPLIT= 8
      -2: X=0.79700000 Y=0.19400000 Z=0.62500000
      -2: X=0.29700000 Y=0.69400000 Z=0.87500000
      -2: X=0.70300000 Y=0.30600000 Z=0.12500000
Sb         NPT=  781  R0=.000010000 RMT= 1.91        Z:  51.00000              
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=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.64        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=0.18700000 Y=0.13000000 Z=0.13000000
          MULT= 4          ISPLIT= 8
      -4: X=0.81300000 Y=0.87000000 Z=0.87000000
      -4: X=0.31300000 Y=0.37000000 Z=0.63000000
      -4: X=0.68700000 Y=0.63000000 Z=0.37000000
O          NPT=  781  R0=.000100000 RMT= 1.64        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  -5: X=0.41600000 Y=0.08000000 Z=0.04000000
          MULT= 4          ISPLIT= 8
      -5: X=0.58400000 Y=0.92000000 Z=0.96000000
      -5: X=0.08400000 Y=0.42000000 Z=0.54000000
      -5: X=0.91600000 Y=0.58000000 Z=0.46000000
O          NPT=  781  R0=.000100000 RMT= 1.64        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=0.38200000 Y=0.49000000 Z=0.29500000
          MULT= 4          ISPLIT= 8
      -6: X=0.61800000 Y=0.51000000 Z=0.70500000
      -6: X=0.11800000 Y=0.01000000 Z=0.79500000
      -6: X=0.88200000 Y=0.99000000 Z=0.20500000
Br         NPT=  781  R0=.000050000 RMT= 1.87        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000