P   LATTICE,NONEQUIV.ATOMS   6   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.752886 14.386485 18.783878 90.000000 90.000000115.562000                   
ATOM  -1: X=0.36780000 Y=0.55480000 Z=0.17210000
          MULT= 4          ISPLIT= 8
      -1: X=0.63220000 Y=0.44520000 Z=0.82790000
      -1: X=0.13220000 Y=0.94520000 Z=0.67210000
      -1: X=0.86780000 Y=0.05480000 Z=0.32790000
Br         NPT=  781  R0=.000050000 RMT= 1.22        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  -2: X=0.04850000 Y=0.11590000 Z=0.31710000
          MULT= 4          ISPLIT= 8
      -2: X=0.95150000 Y=0.88410000 Z=0.68290000
      -2: X=0.45150000 Y=0.38410000 Z=0.81710000
      -2: X=0.54850000 Y=0.61590000 Z=0.18290000
Br         NPT=  781  R0=.000050000 RMT= 1.22        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  -3: X=0.71100000 Y=0.09660000 Z=0.53030000
          MULT= 4          ISPLIT= 8
      -3: X=0.28900000 Y=0.90340000 Z=0.46970000
      -3: X=0.78900000 Y=0.40340000 Z=0.03030000
      -3: X=0.21100000 Y=0.59660000 Z=0.96970000
Br         NPT=  781  R0=.000050000 RMT= 1.22        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  -4: X=0.12540000 Y=0.65680000 Z=0.03570000
          MULT= 4          ISPLIT= 8
      -4: X=0.87460000 Y=0.34320000 Z=0.96430000
      -4: X=0.37460000 Y=0.84320000 Z=0.53570000
      -4: X=0.62540000 Y=0.15680000 Z=0.46430000
Se         NPT=  781  R0=.000050000 RMT= 1.22        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=0.15880000 Y=0.27110000 Z=0.12910000
          MULT= 4          ISPLIT= 8
      -5: X=0.84120000 Y=0.72890000 Z=0.87090000
      -5: X=0.34120000 Y=0.22890000 Z=0.62910000
      -5: X=0.65880000 Y=0.77110000 Z=0.37090000
Al         NPT=  781  R0=.000100000 RMT= 1.85        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.05300000 Y=0.40100000 Z=0.04500000
          MULT= 4          ISPLIT= 8
      -6: X=0.94700000 Y=0.59900000 Z=0.95500000
      -6: X=0.44700000 Y=0.09900000 Z=0.54500000
      -6: X=0.55300000 Y=0.90100000 Z=0.45500000
N          NPT=  781  R0=.000100000 RMT= 1.53        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000