B   LATTICE,NONEQUIV.ATOMS   3  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 22.374357 22.374357 36.698482 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.13700000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -1: X=0.86300000 Y=0.00000000 Z=0.75000000
      -1: X=0.25000000 Y=0.88700000 Z=0.50000000
      -1: X=0.25000000 Y=0.61300000 Z=0.00000000
      -1: X=0.86300000 Y=0.50000000 Z=0.25000000
      -1: X=0.13700000 Y=0.50000000 Z=0.75000000
      -1: X=0.25000000 Y=0.11300000 Z=0.00000000
      -1: X=0.25000000 Y=0.38700000 Z=0.50000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.12000000 Y=0.37000000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -2: X=0.88000000 Y=0.63000000 Z=0.87500000
      -2: X=0.88000000 Y=0.87000000 Z=0.37500000
      -2: X=0.62000000 Y=0.63000000 Z=0.12500000
      -2: X=0.88000000 Y=0.37000000 Z=0.62500000
      -2: X=0.12000000 Y=0.63000000 Z=0.37500000
      -2: X=0.88000000 Y=0.13000000 Z=0.12500000
      -2: X=0.12000000 Y=0.87000000 Z=0.87500000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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=0.13500000 Z=0.43200000
          MULT=16          ISPLIT= 8
      -3: X=0.93900000 Y=0.86500000 Z=0.56800000
      -3: X=0.11500000 Y=0.81100000 Z=0.68200000
      -3: X=0.38500000 Y=0.68900000 Z=0.81800000
      -3: X=0.93900000 Y=0.13500000 Z=0.93200000
      -3: X=0.06100000 Y=0.86500000 Z=0.06800000
      -3: X=0.93900000 Y=0.36500000 Z=0.43200000
      -3: X=0.06100000 Y=0.63500000 Z=0.56800000
      -3: X=0.11500000 Y=0.68900000 Z=0.18200000
      -3: X=0.38500000 Y=0.81100000 Z=0.31800000
      -3: X=0.38500000 Y=0.18900000 Z=0.18200000
      -3: X=0.11500000 Y=0.31100000 Z=0.31800000
      -3: X=0.06100000 Y=0.36500000 Z=0.93200000
      -3: X=0.93900000 Y=0.63500000 Z=0.06800000
      -3: X=0.38500000 Y=0.31100000 Z=0.68200000
      -3: X=0.11500000 Y=0.18900000 Z=0.81800000
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