B   LATTICE,NONEQUIV.ATOMS   3  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 19.794881 19.794881 32.903911 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -1: X=0.87500000 Y=0.00000000 Z=0.75000000
      -1: X=0.25000000 Y=0.87500000 Z=0.50000000
      -1: X=0.25000000 Y=0.62500000 Z=0.00000000
      -1: X=0.87500000 Y=0.50000000 Z=0.25000000
      -1: X=0.12500000 Y=0.50000000 Z=0.75000000
      -1: X=0.25000000 Y=0.12500000 Z=0.00000000
      -1: X=0.25000000 Y=0.37500000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.12520000 Y=0.37520000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -2: X=0.87480000 Y=0.62480000 Z=0.87500000
      -2: X=0.87480000 Y=0.87520000 Z=0.37500000
      -2: X=0.62520000 Y=0.62480000 Z=0.12500000
      -2: X=0.87480000 Y=0.37520000 Z=0.62500000
      -2: X=0.12520000 Y=0.62480000 Z=0.37500000
      -2: X=0.87480000 Y=0.12480000 Z=0.12500000
      -2: X=0.12520000 Y=0.87520000 Z=0.87500000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.37610000 Y=0.18050000 Z=0.18525000
          MULT=16          ISPLIT= 8
      -3: X=0.62390000 Y=0.81950000 Z=0.81475000
      -3: X=0.06950000 Y=0.12610000 Z=0.43525000
      -3: X=0.43050000 Y=0.37390000 Z=0.06475000
      -3: X=0.62390000 Y=0.18050000 Z=0.68525000
      -3: X=0.37610000 Y=0.81950000 Z=0.31475000
      -3: X=0.62390000 Y=0.31950000 Z=0.18525000
      -3: X=0.37610000 Y=0.68050000 Z=0.81475000
      -3: X=0.06950000 Y=0.37390000 Z=0.93525000
      -3: X=0.43050000 Y=0.12610000 Z=0.56475000
      -3: X=0.43050000 Y=0.87390000 Z=0.93525000
      -3: X=0.06950000 Y=0.62610000 Z=0.56475000
      -3: X=0.37610000 Y=0.31950000 Z=0.68525000
      -3: X=0.62390000 Y=0.68050000 Z=0.31475000
      -3: X=0.43050000 Y=0.62610000 Z=0.43525000
      -3: X=0.06950000 Y=0.87390000 Z=0.06475000
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