P   LATTICE,NONEQUIV.ATOMS   7   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.781318 12.616379 22.640053 90.000000 90.000000127.347000                   
ATOM  -1: X=0.38519000 Y=0.69258000 Z=0.36814000
          MULT= 4          ISPLIT= 8
      -1: X=0.61481000 Y=0.30742000 Z=0.63186000
      -1: X=0.11481000 Y=0.80742000 Z=0.86814000
      -1: X=0.88519000 Y=0.19258000 Z=0.13186000
Sn         NPT=  781  R0=.000010000 RMT= 2.35        Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.37110000 Y=0.10955000 Z=0.09781000
          MULT= 4          ISPLIT= 8
      -2: X=0.62890000 Y=0.89045000 Z=0.90219000
      -2: X=0.12890000 Y=0.39045000 Z=0.59781000
      -2: X=0.87110000 Y=0.60955000 Z=0.40219000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12867000 Y=0.35589000 Z=0.16043000
          MULT= 4          ISPLIT= 8
      -3: X=0.87133000 Y=0.64411000 Z=0.83957000
      -3: X=0.37133000 Y=0.14411000 Z=0.66043000
      -3: X=0.62867000 Y=0.85589000 Z=0.33957000
P          NPT=  781  R0=.000100000 RMT= 1.83        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.30412000 Y=0.52990000 Z=0.04645000
          MULT= 4          ISPLIT= 8
      -4: X=0.69588000 Y=0.47010000 Z=0.95355000
      -4: X=0.19588000 Y=0.97010000 Z=0.54645000
      -4: X=0.80412000 Y=0.02990000 Z=0.45355000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.42367000 Y=0.13690000 Z=0.42285000
          MULT= 4          ISPLIT= 8
      -5: X=0.57633000 Y=0.86310000 Z=0.57715000
      -5: X=0.07633000 Y=0.36310000 Z=0.92285000
      -5: X=0.92367000 Y=0.63690000 Z=0.07715000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.14209000 Y=0.62420000 Z=0.25257000
          MULT= 4          ISPLIT= 8
      -6: X=0.85791000 Y=0.37580000 Z=0.74743000
      -6: X=0.35791000 Y=0.87580000 Z=0.75257000
      -6: X=0.64209000 Y=0.12420000 Z=0.24743000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.14502000 Y=0.13640000 Z=0.26423000
          MULT= 4          ISPLIT= 8
      -7: X=0.85498000 Y=0.86360000 Z=0.73577000
      -7: X=0.35498000 Y=0.36360000 Z=0.76423000
      -7: X=0.64502000 Y=0.63640000 Z=0.23577000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000