B   LATTICE,NONEQUIV.ATOMS   5   72 Ibam                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.687956 22.465064 22.196723 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
Hg         NPT=  781  R0=.000005000 RMT= 2.12        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=0.00000000 Y=0.33500000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.66500000 Z=0.75000000
      -2: X=0.00000000 Y=0.33500000 Z=0.75000000
      -2: X=0.00000000 Y=0.66500000 Z=0.25000000
Hg         NPT=  781  R0=.000005000 RMT= 2.12        Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.21320000 Y=0.14120000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.78680000 Y=0.85880000 Z=0.00000000
      -3: X=0.78680000 Y=0.14120000 Z=0.50000000
      -3: X=0.21320000 Y=0.85880000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.12        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  -4: X=0.19870000 Y=0.13910000 Z=0.17460000
          MULT= 8          ISPLIT= 8
      -4: X=0.80130000 Y=0.86090000 Z=0.82540000
      -4: X=0.19870000 Y=0.13910000 Z=0.82540000
      -4: X=0.80130000 Y=0.86090000 Z=0.17460000
      -4: X=0.80130000 Y=0.13910000 Z=0.67460000
      -4: X=0.19870000 Y=0.86090000 Z=0.32540000
      -4: X=0.80130000 Y=0.13910000 Z=0.32540000
      -4: X=0.19870000 Y=0.86090000 Z=0.67460000
O          NPT=  781  R0=.000100000 RMT= 1.74        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.22580000 Y=0.38990000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.77420000 Y=0.61010000 Z=0.00000000
      -5: X=0.77420000 Y=0.38990000 Z=0.50000000
      -5: X=0.22580000 Y=0.61010000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000