P   LATTICE,NONEQUIV.ATOMS   4  128 P4/mnc                                     
MODE OF CALC=RELA unit=bohr                                                    
 16.920419 16.920419 16.607480 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14740000 Y=0.64740000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -1: X=0.85260000 Y=0.35260000 Z=0.75000000
      -1: X=0.35260000 Y=0.14740000 Z=0.25000000
      -1: X=0.64740000 Y=0.85260000 Z=0.75000000
      -1: X=0.35260000 Y=0.14740000 Z=0.75000000
      -1: X=0.64740000 Y=0.85260000 Z=0.25000000
      -1: X=0.85260000 Y=0.35260000 Z=0.25000000
      -1: X=0.14740000 Y=0.64740000 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= 2.48        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=0.28610000
          MULT= 4          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.71390000
      -3: X=0.50000000 Y=0.50000000 Z=0.78610000
      -3: X=0.50000000 Y=0.50000000 Z=0.21390000
Br         NPT=  781  R0=.000050000 RMT= 2.24        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.13910000 Y=0.32260000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -4: X=0.86090000 Y=0.67740000 Z=0.00000000
      -4: X=0.67740000 Y=0.13910000 Z=0.00000000
      -4: X=0.32260000 Y=0.86090000 Z=0.00000000
      -4: X=0.36090000 Y=0.82260000 Z=0.50000000
      -4: X=0.63910000 Y=0.17740000 Z=0.50000000
      -4: X=0.17740000 Y=0.36090000 Z=0.50000000
      -4: X=0.82260000 Y=0.63910000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.24        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000