B   LATTICE,NONEQUIV.ATOMS   5  197 I23                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.252530 19.252530 19.252530 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18090000 Y=0.33110000 Z=0.48040000
          MULT=12          ISPLIT= 8
      -1: X=0.81910000 Y=0.66890000 Z=0.48040000
      -1: X=0.18090000 Y=0.66890000 Z=0.51960000
      -1: X=0.48040000 Y=0.18090000 Z=0.33110000
      -1: X=0.81910000 Y=0.33110000 Z=0.51960000
      -1: X=0.51960000 Y=0.81910000 Z=0.33110000
      -1: X=0.48040000 Y=0.81910000 Z=0.66890000
      -1: X=0.51960000 Y=0.18090000 Z=0.66890000
      -1: X=0.33110000 Y=0.48040000 Z=0.18090000
      -1: X=0.66890000 Y=0.51960000 Z=0.18090000
      -1: X=0.33110000 Y=0.51960000 Z=0.81910000
      -1: X=0.66890000 Y=0.48040000 Z=0.81910000
Bi         NPT=  781  R0=.000005000 RMT= 2.23        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= 1.78        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=0.00850000 Y=0.26390000 Z=0.37640000
          MULT=12          ISPLIT= 8
      -3: X=0.99150000 Y=0.73610000 Z=0.37640000
      -3: X=0.00850000 Y=0.73610000 Z=0.62360000
      -3: X=0.37640000 Y=0.00850000 Z=0.26390000
      -3: X=0.99150000 Y=0.26390000 Z=0.62360000
      -3: X=0.62360000 Y=0.99150000 Z=0.26390000
      -3: X=0.37640000 Y=0.99150000 Z=0.73610000
      -3: X=0.62360000 Y=0.00850000 Z=0.73610000
      -3: X=0.26390000 Y=0.37640000 Z=0.00850000
      -3: X=0.73610000 Y=0.62360000 Z=0.00850000
      -3: X=0.26390000 Y=0.62360000 Z=0.99150000
      -3: X=0.73610000 Y=0.37640000 Z=0.99150000
O          NPT=  781  R0=.000100000 RMT= 1.61        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  -4: X=0.30490000 Y=0.30490000 Z=0.30490000
          MULT= 4          ISPLIT= 4
      -4: X=0.69510000 Y=0.69510000 Z=0.30490000
      -4: X=0.30490000 Y=0.69510000 Z=0.69510000
      -4: X=0.69510000 Y=0.30490000 Z=0.69510000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.10250000 Y=0.10250000 Z=0.10250000
          MULT= 4          ISPLIT= 4
      -5: X=0.89750000 Y=0.89750000 Z=0.10250000
      -5: X=0.10250000 Y=0.89750000 Z=0.89750000
      -5: X=0.89750000 Y=0.10250000 Z=0.89750000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503