P   LATTICE,NONEQUIV.ATOMS   5  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.834015 15.834015 15.834015 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10840000 Y=0.64610000 Z=0.19290000
          MULT=12          ISPLIT= 8
      -1: X=0.39160000 Y=0.35390000 Z=0.69290000
      -1: X=0.60840000 Y=0.85390000 Z=0.80710000
      -1: X=0.19290000 Y=0.10840000 Z=0.64610000
      -1: X=0.89160000 Y=0.14610000 Z=0.30710000
      -1: X=0.30710000 Y=0.89160000 Z=0.14610000
      -1: X=0.69290000 Y=0.39160000 Z=0.35390000
      -1: X=0.80710000 Y=0.60840000 Z=0.85390000
      -1: X=0.64610000 Y=0.19290000 Z=0.10840000
      -1: X=0.85390000 Y=0.80710000 Z=0.60840000
      -1: X=0.14610000 Y=0.30710000 Z=0.89160000
      -1: X=0.35390000 Y=0.69290000 Z=0.39160000
Hg         NPT=  781  R0=.000005000 RMT= 2.25        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=0.02020000 Y=0.02020000 Z=0.02020000
          MULT= 4          ISPLIT= 4
      -2: X=0.47980000 Y=0.97980000 Z=0.52020000
      -2: X=0.52020000 Y=0.47980000 Z=0.97980000
      -2: X=0.97980000 Y=0.52020000 Z=0.47980000
Cl         NPT=  781  R0=.000100000 RMT= 2.40        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  -3: X=0.26040000 Y=0.26040000 Z=0.26040000
          MULT= 4          ISPLIT= 4
      -3: X=0.23960000 Y=0.73960000 Z=0.76040000
      -3: X=0.76040000 Y=0.23960000 Z=0.73960000
      -3: X=0.73960000 Y=0.76040000 Z=0.23960000
As         NPT=  781  R0=.000050000 RMT= 1.72        Z:  33.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.38400000 Y=0.38400000 Z=0.38400000
          MULT= 4          ISPLIT= 4
      -4: X=0.11600000 Y=0.61600000 Z=0.88400000
      -4: X=0.88400000 Y=0.11600000 Z=0.61600000
      -4: X=0.61600000 Y=0.88400000 Z=0.11600000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.14500000 Y=0.39300000 Z=0.14900000
          MULT=12          ISPLIT= 8
      -5: X=0.35500000 Y=0.60700000 Z=0.64900000
      -5: X=0.64500000 Y=0.10700000 Z=0.85100000
      -5: X=0.14900000 Y=0.14500000 Z=0.39300000
      -5: X=0.85500000 Y=0.89300000 Z=0.35100000
      -5: X=0.35100000 Y=0.85500000 Z=0.89300000
      -5: X=0.64900000 Y=0.35500000 Z=0.60700000
      -5: X=0.85100000 Y=0.64500000 Z=0.10700000
      -5: X=0.39300000 Y=0.14900000 Z=0.14500000
      -5: X=0.10700000 Y=0.85100000 Z=0.64500000
      -5: X=0.89300000 Y=0.35100000 Z=0.85500000
      -5: X=0.60700000 Y=0.64900000 Z=0.35500000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000