B   LATTICE,NONEQUIV.ATOMS   3  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.872145 14.872145 14.872145 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 3          ISPLIT=-2
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM   2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Ta         NPT=  781  R0=.000005000 RMT= 2.36        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.18000000 Y=0.18000000 Z=0.18000000
          MULT= 4          ISPLIT= 4
      -3: X=0.18000000 Y=0.82000000 Z=0.82000000
      -3: X=0.82000000 Y=0.82000000 Z=0.18000000
      -3: X=0.82000000 Y=0.18000000 Z=0.82000000
Se         NPT=  781  R0=.000050000 RMT= 2.25        Z:  34.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503