B   LATTICE,NONEQUIV.ATOMS   4  229 Im-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 21.954838 21.954838 21.954838 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.17040000 Y=0.17040000 Z=0.17040000
          MULT= 8          ISPLIT= 4
      -2: X=0.82960000 Y=0.82960000 Z=0.82960000
      -2: X=0.82960000 Y=0.17040000 Z=0.17040000
      -2: X=0.17040000 Y=0.82960000 Z=0.82960000
      -2: X=0.82960000 Y=0.82960000 Z=0.17040000
      -2: X=0.17040000 Y=0.17040000 Z=0.82960000
      -2: X=0.17040000 Y=0.82960000 Z=0.17040000
      -2: X=0.82960000 Y=0.17040000 Z=0.82960000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.00000000 Y=0.34970000 Z=0.34970000
          MULT=12          ISPLIT= 8
      -3: X=0.00000000 Y=0.65030000 Z=0.65030000
      -3: X=0.65030000 Y=0.00000000 Z=0.34970000
      -3: X=0.34970000 Y=0.00000000 Z=0.65030000
      -3: X=0.34970000 Y=0.00000000 Z=0.34970000
      -3: X=0.65030000 Y=0.00000000 Z=0.65030000
      -3: X=0.00000000 Y=0.65030000 Z=0.34970000
      -3: X=0.00000000 Y=0.34970000 Z=0.65030000
      -3: X=0.34970000 Y=0.65030000 Z=0.00000000
      -3: X=0.65030000 Y=0.34970000 Z=0.00000000
      -3: X=0.34970000 Y=0.34970000 Z=0.00000000
      -3: X=0.65030000 Y=0.65030000 Z=0.00000000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -0.7071068 0.0000000 0.7071068
                     0.7071068 0.0000000 0.7071068
ATOM  -4: X=0.31380000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -4: X=0.68620000 Y=0.00000000 Z=0.00000000
      -4: X=0.00000000 Y=0.31380000 Z=0.00000000
      -4: X=0.00000000 Y=0.68620000 Z=0.00000000
      -4: X=0.00000000 Y=0.00000000 Z=0.31380000
      -4: X=0.00000000 Y=0.00000000 Z=0.68620000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000