P   LATTICE,NONEQUIV.ATOMS   6  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 25.513193 25.513193  8.679512 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16896000 Y=0.08649000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -1: X=0.83104000 Y=0.91351000 Z=0.00000000
      -1: X=0.91351000 Y=0.16896000 Z=0.00000000
      -1: X=0.08649000 Y=0.83104000 Z=0.00000000
      -1: X=0.33104000 Y=0.58649000 Z=0.00000000
      -1: X=0.66896000 Y=0.41351000 Z=0.00000000
      -1: X=0.41351000 Y=0.33104000 Z=0.00000000
      -1: X=0.58649000 Y=0.66896000 Z=0.00000000
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  -2: X=0.63320000 Y=0.13320000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -2: X=0.36680000 Y=0.86680000 Z=0.50000000
      -2: X=0.86680000 Y=0.63320000 Z=0.50000000
      -2: X=0.13320000 Y=0.36680000 Z=0.50000000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.00000000 Z=0.00000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.18700000 Y=0.68700000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -5: X=0.81300000 Y=0.31300000 Z=0.50000000
      -5: X=0.31300000 Y=0.18700000 Z=0.50000000
      -5: X=0.68700000 Y=0.81300000 Z=0.50000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.07630000 Y=0.23700000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -6: X=0.92370000 Y=0.76300000 Z=0.00000000
      -6: X=0.76300000 Y=0.07630000 Z=0.00000000
      -6: X=0.23700000 Y=0.92370000 Z=0.00000000
      -6: X=0.42370000 Y=0.73700000 Z=0.00000000
      -6: X=0.57630000 Y=0.26300000 Z=0.00000000
      -6: X=0.26300000 Y=0.42370000 Z=0.00000000
      -6: X=0.73700000 Y=0.57630000 Z=0.00000000
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000