P   LATTICE,NONEQUIV.ATOMS   4  128 P4/mnc                                     
MODE OF CALC=RELA unit=bohr                                                    
 17.850353 17.850353 17.498864 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14640000 Y=0.64640000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -1: X=0.85360000 Y=0.35360000 Z=0.75000000
      -1: X=0.35360000 Y=0.14640000 Z=0.25000000
      -1: X=0.64640000 Y=0.85360000 Z=0.75000000
      -1: X=0.35360000 Y=0.14640000 Z=0.75000000
      -1: X=0.64640000 Y=0.85360000 Z=0.25000000
      -1: X=0.85360000 Y=0.35360000 Z=0.25000000
      -1: X=0.14640000 Y=0.64640000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.28480000
          MULT= 4          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.71520000
      -3: X=0.50000000 Y=0.50000000 Z=0.78480000
      -3: X=0.50000000 Y=0.50000000 Z=0.21520000
I          NPT=  781  R0=.000010000 RMT= 2.41        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.14560000 Y=0.33060000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -4: X=0.85440000 Y=0.66940000 Z=0.00000000
      -4: X=0.66940000 Y=0.14560000 Z=0.00000000
      -4: X=0.33060000 Y=0.85440000 Z=0.00000000
      -4: X=0.35440000 Y=0.83060000 Z=0.50000000
      -4: X=0.64560000 Y=0.16940000 Z=0.50000000
      -4: X=0.16940000 Y=0.35440000 Z=0.50000000
      -4: X=0.83060000 Y=0.64560000 Z=0.50000000
I          NPT=  781  R0=.000010000 RMT= 2.41        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000