B   LATTICE,NONEQUIV.ATOMS   5  197 I23                                        
MODE OF CALC=RELA unit=bohr                                                    
 25.270174 25.270174 25.270174 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.08941000 Y=0.08941000 Z=0.08941000
          MULT= 4          ISPLIT= 4
      -1: X=0.91059000 Y=0.91059000 Z=0.08941000
      -1: X=0.08941000 Y=0.91059000 Z=0.91059000
      -1: X=0.91059000 Y=0.08941000 Z=0.91059000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.36561000 Y=0.36561000 Z=0.36561000
          MULT= 4          ISPLIT= 4
      -2: X=0.63439000 Y=0.63439000 Z=0.36561000
      -2: X=0.36561000 Y=0.63439000 Z=0.63439000
      -2: X=0.63439000 Y=0.36561000 Z=0.63439000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.36483000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -3: X=0.63517000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.36483000 Z=0.00000000
      -3: X=0.00000000 Y=0.63517000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.36483000
      -3: X=0.00000000 Y=0.00000000 Z=0.63517000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.05174000 Y=0.28637000 Z=0.32599000
          MULT=12          ISPLIT= 8
      -4: X=0.94826000 Y=0.71363000 Z=0.32599000
      -4: X=0.05174000 Y=0.71363000 Z=0.67401000
      -4: X=0.32599000 Y=0.05174000 Z=0.28637000
      -4: X=0.94826000 Y=0.28637000 Z=0.67401000
      -4: X=0.67401000 Y=0.94826000 Z=0.28637000
      -4: X=0.32599000 Y=0.94826000 Z=0.71363000
      -4: X=0.67401000 Y=0.05174000 Z=0.71363000
      -4: X=0.28637000 Y=0.32599000 Z=0.05174000
      -4: X=0.71363000 Y=0.67401000 Z=0.05174000
      -4: X=0.28637000 Y=0.67401000 Z=0.94826000
      -4: X=0.71363000 Y=0.32599000 Z=0.94826000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.17300000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -5: X=0.82700000 Y=0.50000000 Z=0.00000000
      -5: X=0.00000000 Y=0.17300000 Z=0.50000000
      -5: X=0.00000000 Y=0.82700000 Z=0.50000000
      -5: X=0.50000000 Y=0.00000000 Z=0.17300000
      -5: X=0.50000000 Y=0.00000000 Z=0.82700000
O          NPT=  781  R0=.000100000 RMT= 2.50000     Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000