B   LATTICE,NONEQUIV.ATOMS   3  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 21.559885 21.559885 35.241503 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.13790000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -1: X=0.86210000 Y=0.00000000 Z=0.75000000
      -1: X=0.25000000 Y=0.88790000 Z=0.50000000
      -1: X=0.25000000 Y=0.61210000 Z=0.00000000
      -1: X=0.86210000 Y=0.50000000 Z=0.25000000
      -1: X=0.13790000 Y=0.50000000 Z=0.75000000
      -1: X=0.25000000 Y=0.11210000 Z=0.00000000
      -1: X=0.25000000 Y=0.38790000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.12160000 Y=0.37160000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -2: X=0.87840000 Y=0.62840000 Z=0.87500000
      -2: X=0.87840000 Y=0.87160000 Z=0.37500000
      -2: X=0.62160000 Y=0.62840000 Z=0.12500000
      -2: X=0.87840000 Y=0.37160000 Z=0.62500000
      -2: X=0.12160000 Y=0.62840000 Z=0.37500000
      -2: X=0.87840000 Y=0.12840000 Z=0.12500000
      -2: X=0.12160000 Y=0.87160000 Z=0.87500000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.06468000 Y=0.13783000 Z=0.43072000
          MULT=16          ISPLIT= 8
      -3: X=0.93532000 Y=0.86217000 Z=0.56928000
      -3: X=0.11217000 Y=0.81468000 Z=0.68072000
      -3: X=0.38783000 Y=0.68532000 Z=0.81928000
      -3: X=0.93532000 Y=0.13783000 Z=0.93072000
      -3: X=0.06468000 Y=0.86217000 Z=0.06928000
      -3: X=0.93532000 Y=0.36217000 Z=0.43072000
      -3: X=0.06468000 Y=0.63783000 Z=0.56928000
      -3: X=0.11217000 Y=0.68532000 Z=0.18072000
      -3: X=0.38783000 Y=0.81468000 Z=0.31928000
      -3: X=0.38783000 Y=0.18532000 Z=0.18072000
      -3: X=0.11217000 Y=0.31468000 Z=0.31928000
      -3: X=0.06468000 Y=0.36217000 Z=0.93072000
      -3: X=0.93532000 Y=0.63783000 Z=0.06928000
      -3: X=0.38783000 Y=0.31468000 Z=0.68072000
      -3: X=0.11217000 Y=0.18532000 Z=0.81928000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000