B   LATTICE,NONEQUIV.ATOMS   2  140 I4/mcm  
MODE OF CALC=RELA unit=bohr
 14.566009 14.566009 11.738979 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT=   2.00000   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=0.16500000 Y=0.66500000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.83500000 Y=0.33500000 Z=0.00000000
      -2: X=0.33500000 Y=0.16500000 Z=0.00000000
      -2: X=0.66500000 Y=0.83500000 Z=0.00000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000