R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.464721 14.464721 14.991385 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Sb         NPT=  781  R0=.000010000 RMT= 1.98        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.73000000 Y=0.10001000 Z=0.73000000
          MULT= 6          ISPLIT= 8
      -3: X=0.27000000 Y=0.89999000 Z=0.27000000
      -3: X=0.10001000 Y=0.73000000 Z=0.73000000
      -3: X=0.89999000 Y=0.27000000 Z=0.27000000
      -3: X=0.73000000 Y=0.73000000 Z=0.10001000
      -3: X=0.27000000 Y=0.27000000 Z=0.89999000
F          NPT=  781  R0=.000100000 RMT= 1.79        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000