B   LATTICE,NONEQUIV.ATOMS   5  197 I23                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.284655 19.284655 19.284655 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Zn         NPT=  781  R0=.000050000 RMT= 1.91        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.18200000 Y=0.32320000 Z=0.48600000
          MULT=12          ISPLIT= 8
      -2: X=0.81800000 Y=0.67680000 Z=0.48600000
      -2: X=0.18200000 Y=0.67680000 Z=0.51400000
      -2: X=0.48600000 Y=0.18200000 Z=0.32320000
      -2: X=0.81800000 Y=0.32320000 Z=0.51400000
      -2: X=0.51400000 Y=0.81800000 Z=0.32320000
      -2: X=0.48600000 Y=0.81800000 Z=0.67680000
      -2: X=0.51400000 Y=0.18200000 Z=0.67680000
      -2: X=0.32320000 Y=0.48600000 Z=0.18200000
      -2: X=0.67680000 Y=0.51400000 Z=0.18200000
      -2: X=0.32320000 Y=0.51400000 Z=0.81800000
      -2: X=0.67680000 Y=0.48600000 Z=0.81800000
Bi         NPT=  781  R0=.000005000 RMT= 2.14        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  -3: X=0.31170000 Y=0.31170000 Z=0.31170000
          MULT= 4          ISPLIT= 4
      -3: X=0.68830000 Y=0.68830000 Z=0.31170000
      -3: X=0.31170000 Y=0.68830000 Z=0.68830000
      -3: X=0.68830000 Y=0.31170000 Z=0.68830000
O          NPT=  781  R0=.000100000 RMT= 1.64        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=0.01180000 Y=0.24960000 Z=0.36610000
          MULT=12          ISPLIT= 8
      -4: X=0.98820000 Y=0.75040000 Z=0.36610000
      -4: X=0.01180000 Y=0.75040000 Z=0.63390000
      -4: X=0.36610000 Y=0.01180000 Z=0.24960000
      -4: X=0.98820000 Y=0.24960000 Z=0.63390000
      -4: X=0.63390000 Y=0.98820000 Z=0.24960000
      -4: X=0.36610000 Y=0.98820000 Z=0.75040000
      -4: X=0.63390000 Y=0.01180000 Z=0.75040000
      -4: X=0.24960000 Y=0.36610000 Z=0.01180000
      -4: X=0.75040000 Y=0.63390000 Z=0.01180000
      -4: X=0.24960000 Y=0.63390000 Z=0.98820000
      -4: X=0.75040000 Y=0.36610000 Z=0.98820000
O          NPT=  781  R0=.000100000 RMT= 1.64        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=0.10700000 Y=0.10700000 Z=0.10700000
          MULT= 4          ISPLIT= 4
      -5: X=0.89300000 Y=0.89300000 Z=0.10700000
      -5: X=0.10700000 Y=0.89300000 Z=0.89300000
      -5: X=0.89300000 Y=0.10700000 Z=0.89300000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503