B   LATTICE,NONEQUIV.ATOMS   4  141 I41/amd                                    
MODE OF CALC=RELA unit=bohr                                                    
 16.584237 16.584237 46.736707 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.75000000 Z=0.00000000
      -1: X=0.00000000 Y=0.75000000 Z=0.25000000
      -1: X=0.50000000 Y=0.75000000 Z=0.25000000
I          NPT=  781  R0=.000010000 RMT= 2.46        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  -2: X=0.00000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.75000000
      -2: X=0.00000000 Y=0.75000000 Z=0.50000000
      -2: X=0.50000000 Y=0.75000000 Z=0.00000000
I          NPT=  781  R0=.000010000 RMT= 2.46        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  -3: X=0.25000000 Y=0.50000000 Z=0.87500000
          MULT= 8          ISPLIT= 8
      -3: X=0.75000000 Y=0.50000000 Z=0.12500000
      -3: X=0.75000000 Y=0.00000000 Z=0.12500000
      -3: X=0.75000000 Y=0.50000000 Z=0.37500000
      -3: X=0.75000000 Y=0.50000000 Z=0.87500000
      -3: X=0.25000000 Y=0.50000000 Z=0.12500000
      -3: X=0.75000000 Y=0.00000000 Z=0.87500000
      -3: X=0.25000000 Y=0.00000000 Z=0.12500000
I          NPT=  781  R0=.000010000 RMT= 2.46        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  -4: X=0.00000000 Y=0.00000000 Z=0.18750000
          MULT= 8          ISPLIT= 8
      -4: X=0.00000000 Y=0.00000000 Z=0.81250000
      -4: X=0.25000000 Y=0.75000000 Z=0.43750000
      -4: X=0.25000000 Y=0.75000000 Z=0.06250000
      -4: X=0.00000000 Y=0.50000000 Z=0.18750000
      -4: X=0.00000000 Y=0.50000000 Z=0.81250000
      -4: X=0.25000000 Y=0.25000000 Z=0.93750000
      -4: X=0.25000000 Y=0.25000000 Z=0.56250000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000