B   LATTICE,NONEQUIV.ATOMS   7   74 Imma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.517804 35.343548 17.880967 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.11302000 Z=0.04060000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.88698000 Z=0.95940000
      -1: X=0.00000000 Y=0.61302000 Z=0.95940000
      -1: X=0.00000000 Y=0.38698000 Z=0.04060000
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
ATOM  -2: X=0.26432000 Y=0.25000000 Z=0.00245000
          MULT= 4          ISPLIT= 8
      -2: X=0.73568000 Y=0.75000000 Z=0.99755000
      -2: X=0.26432000 Y=0.75000000 Z=0.99755000
      -2: X=0.73568000 Y=0.25000000 Z=0.00245000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     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=0.25000000 Y=0.60063000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.39937000 Z=0.75000000
      -3: X=0.25000000 Y=0.10063000 Z=0.75000000
      -3: X=0.75000000 Y=0.89937000 Z=0.25000000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     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  -4: X=0.00000000 Y=0.25000000 Z=0.73580000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.75000000 Z=0.26420000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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  -5: X=0.00000000 Y=0.25000000 Z=0.25860000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.75000000 Z=0.74140000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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  -6: X=0.00000000 Y=0.00189000 Z=0.26952000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.99811000 Z=0.73048000
      -6: X=0.00000000 Y=0.50189000 Z=0.73048000
      -6: X=0.00000000 Y=0.49811000 Z=0.26952000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.24270000 Y=0.12220000 Z=0.00240000
          MULT= 8          ISPLIT= 8
      -7: X=0.75730000 Y=0.87780000 Z=0.99760000
      -7: X=0.24270000 Y=0.62220000 Z=0.99760000
      -7: X=0.75730000 Y=0.37780000 Z=0.00240000
      -7: X=0.75730000 Y=0.12220000 Z=0.00240000
      -7: X=0.24270000 Y=0.87780000 Z=0.99760000
      -7: X=0.75730000 Y=0.62220000 Z=0.99760000
      -7: X=0.24270000 Y=0.37780000 Z=0.00240000
S          NPT=  781  R0=.000100000 RMT= 1.97        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000