P   LATTICE,NONEQUIV.ATOMS   5  104 P4nc                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.793661 17.793661 17.455400 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14510000 Y=0.35230000 Z=0.25200000
          MULT= 8          ISPLIT= 8
      -1: X=0.64770000 Y=0.14510000 Z=0.25200000
      -1: X=0.35490000 Y=0.85230000 Z=0.75200000
      -1: X=0.85490000 Y=0.64770000 Z=0.25200000
      -1: X=0.14770000 Y=0.35490000 Z=0.75200000
      -1: X=0.35230000 Y=0.85490000 Z=0.25200000
      -1: X=0.64510000 Y=0.14770000 Z=0.75200000
      -1: X=0.85230000 Y=0.64510000 Z=0.75200000
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=0.00300000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.50300000
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=0.71510000
          MULT= 2          ISPLIT=-2
      -3: X=0.50000000 Y=0.50000000 Z=0.21510000
I          NPT=  781  R0=.000010000 RMT= 2.39        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=0.00000000 Y=0.00000000 Z=0.28550000
          MULT= 2          ISPLIT=-2
      -4: X=0.50000000 Y=0.50000000 Z=0.78550000
I          NPT=  781  R0=.000010000 RMT= 2.39        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  -5: X=0.35450000 Y=0.16980000 Z=0.49990000
          MULT= 8          ISPLIT= 8
      -5: X=0.83020000 Y=0.35450000 Z=0.49990000
      -5: X=0.14550000 Y=0.66980000 Z=0.99990000
      -5: X=0.64550000 Y=0.83020000 Z=0.49990000
      -5: X=0.33020000 Y=0.14550000 Z=0.99990000
      -5: X=0.16980000 Y=0.64550000 Z=0.49990000
      -5: X=0.85450000 Y=0.33020000 Z=0.99990000
      -5: X=0.66980000 Y=0.85450000 Z=0.99990000
I          NPT=  781  R0=.000010000 RMT= 2.39        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000