B   LATTICE,NONEQUIV.ATOMS   5  197 I23                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.278986 19.278986 19.278986 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18200000 Y=0.32400000 Z=0.48490000
          MULT=12          ISPLIT= 8
      -1: X=0.81800000 Y=0.67600000 Z=0.48490000
      -1: X=0.18200000 Y=0.67600000 Z=0.51510000
      -1: X=0.48490000 Y=0.18200000 Z=0.32400000
      -1: X=0.81800000 Y=0.32400000 Z=0.51510000
      -1: X=0.51510000 Y=0.81800000 Z=0.32400000
      -1: X=0.48490000 Y=0.81800000 Z=0.67600000
      -1: X=0.51510000 Y=0.18200000 Z=0.67600000
      -1: X=0.32400000 Y=0.48490000 Z=0.18200000
      -1: X=0.67600000 Y=0.51510000 Z=0.18200000
      -1: X=0.32400000 Y=0.51510000 Z=0.81800000
      -1: X=0.67600000 Y=0.48490000 Z=0.81800000
Bi         NPT=  781  R0=.000005000 RMT= 2.11        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
Ti         NPT=  781  R0=.000050000 RMT= 1.62        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33600000 Y=0.33600000 Z=0.33600000
          MULT= 4          ISPLIT= 4
      -3: X=0.66400000 Y=0.66400000 Z=0.33600000
      -3: X=0.33600000 Y=0.66400000 Z=0.66400000
      -3: X=0.66400000 Y=0.33600000 Z=0.66400000
O          NPT=  781  R0=.000100000 RMT= 1.47        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=0.01100000 Y=0.24700000 Z=0.36100000
          MULT=12          ISPLIT= 8
      -4: X=0.98900000 Y=0.75300000 Z=0.36100000
      -4: X=0.01100000 Y=0.75300000 Z=0.63900000
      -4: X=0.36100000 Y=0.01100000 Z=0.24700000
      -4: X=0.98900000 Y=0.24700000 Z=0.63900000
      -4: X=0.63900000 Y=0.98900000 Z=0.24700000
      -4: X=0.36100000 Y=0.98900000 Z=0.75300000
      -4: X=0.63900000 Y=0.01100000 Z=0.75300000
      -4: X=0.24700000 Y=0.36100000 Z=0.01100000
      -4: X=0.75300000 Y=0.63900000 Z=0.01100000
      -4: X=0.24700000 Y=0.63900000 Z=0.98900000
      -4: X=0.75300000 Y=0.36100000 Z=0.98900000
O          NPT=  781  R0=.000100000 RMT= 1.47        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=0.09300000 Y=0.09300000 Z=0.09300000
          MULT= 4          ISPLIT= 4
      -5: X=0.90700000 Y=0.90700000 Z=0.09300000
      -5: X=0.09300000 Y=0.90700000 Z=0.90700000
      -5: X=0.90700000 Y=0.09300000 Z=0.90700000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503