B   LATTICE,NONEQUIV.ATOMS   5  197 I23                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.048439 19.048439 19.048439 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18000000 Y=0.32000000 Z=0.48000000
          MULT=12          ISPLIT= 8
      -1: X=0.82000000 Y=0.68000000 Z=0.48000000
      -1: X=0.18000000 Y=0.68000000 Z=0.52000000
      -1: X=0.48000000 Y=0.18000000 Z=0.32000000
      -1: X=0.82000000 Y=0.32000000 Z=0.52000000
      -1: X=0.52000000 Y=0.82000000 Z=0.32000000
      -1: X=0.48000000 Y=0.82000000 Z=0.68000000
      -1: X=0.52000000 Y=0.18000000 Z=0.68000000
      -1: X=0.32000000 Y=0.48000000 Z=0.18000000
      -1: X=0.68000000 Y=0.52000000 Z=0.18000000
      -1: X=0.32000000 Y=0.52000000 Z=0.82000000
      -1: X=0.68000000 Y=0.48000000 Z=0.82000000
Bi         NPT=  781  R0=.000005000 RMT= 2.44        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=0.02000000 Y=0.16000000 Z=0.37000000
          MULT=12          ISPLIT= 8
      -2: X=0.98000000 Y=0.84000000 Z=0.37000000
      -2: X=0.02000000 Y=0.84000000 Z=0.63000000
      -2: X=0.37000000 Y=0.02000000 Z=0.16000000
      -2: X=0.98000000 Y=0.16000000 Z=0.63000000
      -2: X=0.63000000 Y=0.98000000 Z=0.16000000
      -2: X=0.37000000 Y=0.98000000 Z=0.84000000
      -2: X=0.63000000 Y=0.02000000 Z=0.84000000
      -2: X=0.16000000 Y=0.37000000 Z=0.02000000
      -2: X=0.84000000 Y=0.63000000 Z=0.02000000
      -2: X=0.16000000 Y=0.63000000 Z=0.98000000
      -2: X=0.84000000 Y=0.37000000 Z=0.98000000
O          NPT=  781  R0=.000100000 RMT= 1.94        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  -3: X=0.27000000 Y=0.27000000 Z=0.27000000
          MULT= 4          ISPLIT= 4
      -3: X=0.73000000 Y=0.73000000 Z=0.27000000
      -3: X=0.27000000 Y=0.73000000 Z=0.73000000
      -3: X=0.73000000 Y=0.27000000 Z=0.73000000
O          NPT=  781  R0=.000100000 RMT= 1.94        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=0.11000000 Y=0.11000000 Z=0.11000000
          MULT= 4          ISPLIT= 4
      -4: X=0.89000000 Y=0.89000000 Z=0.11000000
      -4: X=0.11000000 Y=0.89000000 Z=0.89000000
      -4: X=0.89000000 Y=0.11000000 Z=0.89000000
O          NPT=  781  R0=.000100000 RMT= 1.94        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   5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Si         NPT=  781  R0=.000100000 RMT= 1.67        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000