B   LATTICE,NONEQUIV.ATOMS   3  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 19.766535 19.766535 32.862337 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.37600000 Y=0.18050000 Z=0.18520000
          MULT=16          ISPLIT= 8
      -1: X=0.62400000 Y=0.81950000 Z=0.81480000
      -1: X=0.06950000 Y=0.12600000 Z=0.43520000
      -1: X=0.43050000 Y=0.37400000 Z=0.06480000
      -1: X=0.62400000 Y=0.18050000 Z=0.68520000
      -1: X=0.37600000 Y=0.81950000 Z=0.31480000
      -1: X=0.62400000 Y=0.31950000 Z=0.18520000
      -1: X=0.37600000 Y=0.68050000 Z=0.81480000
      -1: X=0.06950000 Y=0.37400000 Z=0.93520000
      -1: X=0.43050000 Y=0.12600000 Z=0.56480000
      -1: X=0.43050000 Y=0.87400000 Z=0.93520000
      -1: X=0.06950000 Y=0.62600000 Z=0.56480000
      -1: X=0.37600000 Y=0.31950000 Z=0.68520000
      -1: X=0.62400000 Y=0.68050000 Z=0.31480000
      -1: X=0.43050000 Y=0.62600000 Z=0.43520000
      -1: X=0.06950000 Y=0.87400000 Z=0.06480000
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
ATOM  -2: X=0.12580000 Y=0.37580000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -2: X=0.87420000 Y=0.62420000 Z=0.87500000
      -2: X=0.87420000 Y=0.87580000 Z=0.37500000
      -2: X=0.62580000 Y=0.62420000 Z=0.12500000
      -2: X=0.87420000 Y=0.37580000 Z=0.62500000
      -2: X=0.12580000 Y=0.62420000 Z=0.37500000
      -2: X=0.87420000 Y=0.12420000 Z=0.12500000
      -2: X=0.12580000 Y=0.87580000 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=0.12760000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -3: X=0.87240000 Y=0.00000000 Z=0.75000000
      -3: X=0.25000000 Y=0.87760000 Z=0.50000000
      -3: X=0.25000000 Y=0.62240000 Z=0.00000000
      -3: X=0.87240000 Y=0.50000000 Z=0.25000000
      -3: X=0.12760000 Y=0.50000000 Z=0.75000000
      -3: X=0.25000000 Y=0.12240000 Z=0.00000000
      -3: X=0.25000000 Y=0.37760000 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