P   LATTICE,NONEQUIV.ATOMS   4  128 P4/mnc                                     
MODE OF CALC=RELA unit=bohr                                                    
 17.343906 17.343906 18.283100 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.30540000
          MULT= 4          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.69460000
      -1: X=0.50000000 Y=0.50000000 Z=0.80540000
      -1: X=0.50000000 Y=0.50000000 Z=0.19460000
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=0.10950000 Y=0.31700000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -2: X=0.89050000 Y=0.68300000 Z=0.00000000
      -2: X=0.68300000 Y=0.10950000 Z=0.00000000
      -2: X=0.31700000 Y=0.89050000 Z=0.00000000
      -2: X=0.39050000 Y=0.81700000 Z=0.50000000
      -2: X=0.60950000 Y=0.18300000 Z=0.50000000
      -2: X=0.18300000 Y=0.39050000 Z=0.50000000
      -2: X=0.81700000 Y=0.60950000 Z=0.50000000
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  -3: X=0.16300000 Y=0.66300000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -3: X=0.83700000 Y=0.33700000 Z=0.75000000
      -3: X=0.33700000 Y=0.16300000 Z=0.25000000
      -3: X=0.66300000 Y=0.83700000 Z=0.75000000
      -3: X=0.33700000 Y=0.16300000 Z=0.75000000
      -3: X=0.66300000 Y=0.83700000 Z=0.25000000
      -3: X=0.83700000 Y=0.33700000 Z=0.25000000
      -3: X=0.16300000 Y=0.66300000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000