P   LATTICE,NONEQUIV.ATOMS   2   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.070685 11.489535 11.357254 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.10        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=0.40500000 Y=0.07500000 Z=0.06200000
          MULT= 8          ISPLIT= 8
      -2: X=0.59500000 Y=0.92500000 Z=0.93800000
      -2: X=0.90500000 Y=0.07500000 Z=0.43800000
      -2: X=0.09500000 Y=0.92500000 Z=0.56200000
      -2: X=0.09500000 Y=0.57500000 Z=0.06200000
      -2: X=0.90500000 Y=0.42500000 Z=0.93800000
      -2: X=0.59500000 Y=0.57500000 Z=0.43800000
      -2: X=0.40500000 Y=0.42500000 Z=0.56200000
O          NPT=  781  R0=.000100000 RMT= 1.40        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000