P   LATTICE,NONEQUIV.ATOMS   4  200 Pm-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.176175 10.176175 10.176175 90.000000 90.000000 90.000000                   
ATOM   1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
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= 2
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=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
N          NPT=  781  R0=.000100000 RMT= 1.28        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.26000000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT= 8
      -4: X=0.74000000 Y=0.00000000 Z=0.50000000
      -4: X=0.50000000 Y=0.26000000 Z=0.00000000
      -4: X=0.50000000 Y=0.74000000 Z=0.00000000
      -4: X=0.00000000 Y=0.50000000 Z=0.26000000
      -4: X=0.00000000 Y=0.50000000 Z=0.74000000
O          NPT=  781  R0=.000100000 RMT= 1.35        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000