B   LATTICE,NONEQUIV.ATOMS   3  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 21.792322 21.792322 35.655353 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.06141000 Y=0.13045000 Z=0.43344000
          MULT=16          ISPLIT= 8
      -1: X=0.93859000 Y=0.86955000 Z=0.56656000
      -1: X=0.11955000 Y=0.81141000 Z=0.68344000
      -1: X=0.38045000 Y=0.68859000 Z=0.81656000
      -1: X=0.93859000 Y=0.13045000 Z=0.93344000
      -1: X=0.06141000 Y=0.86955000 Z=0.06656000
      -1: X=0.93859000 Y=0.36955000 Z=0.43344000
      -1: X=0.06141000 Y=0.63045000 Z=0.56656000
      -1: X=0.11955000 Y=0.68859000 Z=0.18344000
      -1: X=0.38045000 Y=0.81141000 Z=0.31656000
      -1: X=0.38045000 Y=0.18859000 Z=0.18344000
      -1: X=0.11955000 Y=0.31141000 Z=0.31656000
      -1: X=0.06141000 Y=0.36955000 Z=0.93344000
      -1: X=0.93859000 Y=0.63045000 Z=0.06656000
      -1: X=0.38045000 Y=0.31141000 Z=0.68344000
      -1: X=0.11955000 Y=0.18859000 Z=0.81656000
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
ATOM  -2: X=0.12170000 Y=0.37170000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -2: X=0.87830000 Y=0.62830000 Z=0.87500000
      -2: X=0.87830000 Y=0.87170000 Z=0.37500000
      -2: X=0.62170000 Y=0.62830000 Z=0.12500000
      -2: X=0.87830000 Y=0.37170000 Z=0.62500000
      -2: X=0.12170000 Y=0.62830000 Z=0.37500000
      -2: X=0.87830000 Y=0.12830000 Z=0.12500000
      -2: X=0.12170000 Y=0.87170000 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=0.13110000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -3: X=0.86890000 Y=0.00000000 Z=0.75000000
      -3: X=0.25000000 Y=0.88110000 Z=0.50000000
      -3: X=0.25000000 Y=0.61890000 Z=0.00000000
      -3: X=0.86890000 Y=0.50000000 Z=0.25000000
      -3: X=0.13110000 Y=0.50000000 Z=0.75000000
      -3: X=0.25000000 Y=0.11890000 Z=0.00000000
      -3: X=0.25000000 Y=0.38110000 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