P   LATTICE,NONEQUIV.ATOMS   4  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.453511 17.453511 17.453511 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.01830000 Y=0.23110000 Z=0.32260000
          MULT=12          ISPLIT= 8
      -1: X=0.48170000 Y=0.76890000 Z=0.82260000
      -1: X=0.51830000 Y=0.26890000 Z=0.67740000
      -1: X=0.32260000 Y=0.01830000 Z=0.23110000
      -1: X=0.98170000 Y=0.73110000 Z=0.17740000
      -1: X=0.17740000 Y=0.98170000 Z=0.73110000
      -1: X=0.82260000 Y=0.48170000 Z=0.76890000
      -1: X=0.67740000 Y=0.51830000 Z=0.26890000
      -1: X=0.23110000 Y=0.32260000 Z=0.01830000
      -1: X=0.26890000 Y=0.67740000 Z=0.51830000
      -1: X=0.73110000 Y=0.17740000 Z=0.98170000
      -1: X=0.76890000 Y=0.82260000 Z=0.48170000
Hg         NPT=  781  R0=.000005000 RMT= 2.13        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=0.19400000 Y=0.52400000 Z=0.33700000
          MULT=12          ISPLIT= 8
      -2: X=0.30600000 Y=0.47600000 Z=0.83700000
      -2: X=0.69400000 Y=0.97600000 Z=0.66300000
      -2: X=0.33700000 Y=0.19400000 Z=0.52400000
      -2: X=0.80600000 Y=0.02400000 Z=0.16300000
      -2: X=0.16300000 Y=0.80600000 Z=0.02400000
      -2: X=0.83700000 Y=0.30600000 Z=0.47600000
      -2: X=0.66300000 Y=0.69400000 Z=0.97600000
      -2: X=0.52400000 Y=0.33700000 Z=0.19400000
      -2: X=0.97600000 Y=0.66300000 Z=0.69400000
      -2: X=0.02400000 Y=0.16300000 Z=0.80600000
      -2: X=0.47600000 Y=0.83700000 Z=0.30600000
Cl         NPT=  781  R0=.000100000 RMT= 1.94        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  -3: X=0.56900000 Y=0.56900000 Z=0.56900000
          MULT= 4          ISPLIT= 4
      -3: X=0.93100000 Y=0.43100000 Z=0.06900000
      -3: X=0.06900000 Y=0.93100000 Z=0.43100000
      -3: X=0.43100000 Y=0.06900000 Z=0.93100000
Cl         NPT=  781  R0=.000100000 RMT= 1.94        Z:  17.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.17200000 Y=0.17200000 Z=0.17200000
          MULT= 4          ISPLIT= 4
      -4: X=0.32800000 Y=0.82800000 Z=0.67200000
      -4: X=0.67200000 Y=0.32800000 Z=0.82800000
      -4: X=0.82800000 Y=0.67200000 Z=0.32800000
O          NPT=  781  R0=.000100000 RMT= 1.74        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503