B   LATTICE,NONEQUIV.ATOMS   5  197 I23                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.449061 19.449061 19.449061 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.17910000 Y=0.32320000 Z=0.48290000
          MULT=12          ISPLIT= 8
      -1: X=0.82090000 Y=0.67680000 Z=0.48290000
      -1: X=0.17910000 Y=0.67680000 Z=0.51710000
      -1: X=0.48290000 Y=0.17910000 Z=0.32320000
      -1: X=0.82090000 Y=0.32320000 Z=0.51710000
      -1: X=0.51710000 Y=0.82090000 Z=0.32320000
      -1: X=0.48290000 Y=0.82090000 Z=0.67680000
      -1: X=0.51710000 Y=0.17910000 Z=0.67680000
      -1: X=0.32320000 Y=0.48290000 Z=0.17910000
      -1: X=0.67680000 Y=0.51710000 Z=0.17910000
      -1: X=0.32320000 Y=0.51710000 Z=0.82090000
      -1: X=0.67680000 Y=0.48290000 Z=0.82090000
Bi         NPT=  781  R0=.000005000 RMT= 2.07        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Pb         NPT=  781  R0=.000005000 RMT= 1.90        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  -3: X=0.32600000 Y=0.32600000 Z=0.32600000
          MULT= 4          ISPLIT= 4
      -3: X=0.67400000 Y=0.67400000 Z=0.32600000
      -3: X=0.32600000 Y=0.67400000 Z=0.67400000
      -3: X=0.67400000 Y=0.32600000 Z=0.67400000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.02100000 Y=0.25600000 Z=0.35600000
          MULT=12          ISPLIT= 8
      -4: X=0.97900000 Y=0.74400000 Z=0.35600000
      -4: X=0.02100000 Y=0.74400000 Z=0.64400000
      -4: X=0.35600000 Y=0.02100000 Z=0.25600000
      -4: X=0.97900000 Y=0.25600000 Z=0.64400000
      -4: X=0.64400000 Y=0.97900000 Z=0.25600000
      -4: X=0.35600000 Y=0.97900000 Z=0.74400000
      -4: X=0.64400000 Y=0.02100000 Z=0.74400000
      -4: X=0.25600000 Y=0.35600000 Z=0.02100000
      -4: X=0.74400000 Y=0.64400000 Z=0.02100000
      -4: X=0.25600000 Y=0.64400000 Z=0.97900000
      -4: X=0.74400000 Y=0.35600000 Z=0.97900000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.10300000 Y=0.10300000 Z=0.10300000
          MULT= 4          ISPLIT= 4
      -5: X=0.89700000 Y=0.89700000 Z=0.10300000
      -5: X=0.10300000 Y=0.89700000 Z=0.89700000
      -5: X=0.89700000 Y=0.10300000 Z=0.89700000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503