B   LATTICE,NONEQUIV.ATOMS   3  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 21.731851 21.731851 35.451262 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.13100000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -1: X=0.86900000 Y=0.00000000 Z=0.75000000
      -1: X=0.25000000 Y=0.88100000 Z=0.50000000
      -1: X=0.25000000 Y=0.61900000 Z=0.00000000
      -1: X=0.86900000 Y=0.50000000 Z=0.25000000
      -1: X=0.13100000 Y=0.50000000 Z=0.75000000
      -1: X=0.25000000 Y=0.11900000 Z=0.00000000
      -1: X=0.25000000 Y=0.38100000 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=0.12200000 Y=0.37200000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -2: X=0.87800000 Y=0.62800000 Z=0.87500000
      -2: X=0.87800000 Y=0.87200000 Z=0.37500000
      -2: X=0.62200000 Y=0.62800000 Z=0.12500000
      -2: X=0.87800000 Y=0.37200000 Z=0.62500000
      -2: X=0.12200000 Y=0.62800000 Z=0.37500000
      -2: X=0.87800000 Y=0.12800000 Z=0.12500000
      -2: X=0.12200000 Y=0.87200000 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=0.06100000 Y=0.13000000 Z=0.43300000
          MULT=16          ISPLIT= 8
      -3: X=0.93900000 Y=0.87000000 Z=0.56700000
      -3: X=0.12000000 Y=0.81100000 Z=0.68300000
      -3: X=0.38000000 Y=0.68900000 Z=0.81700000
      -3: X=0.93900000 Y=0.13000000 Z=0.93300000
      -3: X=0.06100000 Y=0.87000000 Z=0.06700000
      -3: X=0.93900000 Y=0.37000000 Z=0.43300000
      -3: X=0.06100000 Y=0.63000000 Z=0.56700000
      -3: X=0.12000000 Y=0.68900000 Z=0.18300000
      -3: X=0.38000000 Y=0.81100000 Z=0.31700000
      -3: X=0.38000000 Y=0.18900000 Z=0.18300000
      -3: X=0.12000000 Y=0.31100000 Z=0.31700000
      -3: X=0.06100000 Y=0.37000000 Z=0.93300000
      -3: X=0.93900000 Y=0.63000000 Z=0.06700000
      -3: X=0.38000000 Y=0.31100000 Z=0.68300000
      -3: X=0.12000000 Y=0.18900000 Z=0.81700000
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