B   LATTICE,NONEQUIV.ATOMS   3  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 19.993302 19.993302 33.535080 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=0.12500000 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
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=0.36860000 Y=0.18040000 Z=0.18830000
          MULT=16          ISPLIT= 8
      -3: X=0.63140000 Y=0.81960000 Z=0.81170000
      -3: X=0.06960000 Y=0.11860000 Z=0.43830000
      -3: X=0.43040000 Y=0.38140000 Z=0.06170000
      -3: X=0.63140000 Y=0.18040000 Z=0.68830000
      -3: X=0.36860000 Y=0.81960000 Z=0.31170000
      -3: X=0.63140000 Y=0.31960000 Z=0.18830000
      -3: X=0.36860000 Y=0.68040000 Z=0.81170000
      -3: X=0.06960000 Y=0.38140000 Z=0.93830000
      -3: X=0.43040000 Y=0.11860000 Z=0.56170000
      -3: X=0.43040000 Y=0.88140000 Z=0.93830000
      -3: X=0.06960000 Y=0.61860000 Z=0.56170000
      -3: X=0.36860000 Y=0.31960000 Z=0.68830000
      -3: X=0.63140000 Y=0.68040000 Z=0.31170000
      -3: X=0.43040000 Y=0.61860000 Z=0.43830000
      -3: X=0.06960000 Y=0.88140000 Z=0.06170000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000