B   LATTICE,NONEQUIV.ATOMS   3  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 21.580672 21.580672 35.092214 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.13500000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -1: X=0.86500000 Y=0.00000000 Z=0.75000000
      -1: X=0.25000000 Y=0.88500000 Z=0.50000000
      -1: X=0.25000000 Y=0.61500000 Z=0.00000000
      -1: X=0.86500000 Y=0.50000000 Z=0.25000000
      -1: X=0.13500000 Y=0.50000000 Z=0.75000000
      -1: X=0.25000000 Y=0.11500000 Z=0.00000000
      -1: X=0.25000000 Y=0.38500000 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=0.12500000 Y=0.37500000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -2: X=0.87500000 Y=0.62500000 Z=0.87500000
      -2: X=0.87500000 Y=0.87500000 Z=0.37500000
      -2: X=0.62500000 Y=0.62500000 Z=0.12500000
      -2: X=0.87500000 Y=0.37500000 Z=0.62500000
      -2: X=0.12500000 Y=0.62500000 Z=0.37500000
      -2: X=0.87500000 Y=0.12500000 Z=0.12500000
      -2: X=0.12500000 Y=0.87500000 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=0.06500000 Y=0.13700000 Z=0.43100000
          MULT=16          ISPLIT= 8
      -3: X=0.93500000 Y=0.86300000 Z=0.56900000
      -3: X=0.11300000 Y=0.81500000 Z=0.68100000
      -3: X=0.38700000 Y=0.68500000 Z=0.81900000
      -3: X=0.93500000 Y=0.13700000 Z=0.93100000
      -3: X=0.06500000 Y=0.86300000 Z=0.06900000
      -3: X=0.93500000 Y=0.36300000 Z=0.43100000
      -3: X=0.06500000 Y=0.63700000 Z=0.56900000
      -3: X=0.11300000 Y=0.68500000 Z=0.18100000
      -3: X=0.38700000 Y=0.81500000 Z=0.31900000
      -3: X=0.38700000 Y=0.18500000 Z=0.18100000
      -3: X=0.11300000 Y=0.31500000 Z=0.31900000
      -3: X=0.06500000 Y=0.36300000 Z=0.93100000
      -3: X=0.93500000 Y=0.63700000 Z=0.06900000
      -3: X=0.38700000 Y=0.31500000 Z=0.68100000
      -3: X=0.11300000 Y=0.18500000 Z=0.81900000
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