P   LATTICE,NONEQUIV.ATOMS   8   57 Pbcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.890157 23.321110 23.145366 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.55420000 Y=0.02292000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.44580000 Y=0.97708000 Z=0.75000000
      -1: X=0.44580000 Y=0.52292000 Z=0.25000000
      -1: X=0.55420000 Y=0.47708000 Z=0.75000000
Hg         NPT=  781  R0=.000005000 RMT= 2.49        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  -2: X=0.54740000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.45260000 Y=0.75000000 Z=0.00000000
      -2: X=0.54740000 Y=0.25000000 Z=0.50000000
      -2: X=0.45260000 Y=0.75000000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.49        Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.02450000 Y=0.75108000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.97550000 Y=0.24892000 Z=0.75000000
      -3: X=0.97550000 Y=0.25108000 Z=0.25000000
      -3: X=0.02450000 Y=0.74892000 Z=0.75000000
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  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
      -4: X=0.00000000 Y=0.50000000 Z=0.00000000
      -4: X=0.00000000 Y=0.50000000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.49        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  -5: X=0.62330000 Y=0.05569000 Z=0.04987000
          MULT= 8          ISPLIT= 8
      -5: X=0.37670000 Y=0.94431000 Z=0.95013000
      -5: X=0.62330000 Y=0.05569000 Z=0.45013000
      -5: X=0.37670000 Y=0.94431000 Z=0.54987000
      -5: X=0.37670000 Y=0.55569000 Z=0.04987000
      -5: X=0.62330000 Y=0.44431000 Z=0.95013000
      -5: X=0.37670000 Y=0.55569000 Z=0.45013000
      -5: X=0.62330000 Y=0.44431000 Z=0.54987000
As         NPT=  781  R0=.000050000 RMT= 2.25        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.10030000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.89970000 Y=0.75000000 Z=0.00000000
      -6: X=0.10030000 Y=0.25000000 Z=0.50000000
      -6: X=0.89970000 Y=0.75000000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.37        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.10510000 Y=0.00290000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -7: X=0.89490000 Y=0.99710000 Z=0.75000000
      -7: X=0.89490000 Y=0.50290000 Z=0.25000000
      -7: X=0.10510000 Y=0.49710000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.37        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.45130000 Y=0.29540000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -8: X=0.54870000 Y=0.70460000 Z=0.75000000
      -8: X=0.54870000 Y=0.79540000 Z=0.25000000
      -8: X=0.45130000 Y=0.20460000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.37        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000