B   LATTICE,NONEQUIV.ATOMS   3  199 I213                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.894152 16.894152 16.894152 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.30290000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.69710000 Y=0.50000000 Z=0.25000000
      -1: X=0.25000000 Y=0.30290000 Z=0.00000000
      -1: X=0.75000000 Y=0.19710000 Z=0.00000000
      -1: X=0.00000000 Y=0.25000000 Z=0.30290000
      -1: X=0.00000000 Y=0.75000000 Z=0.19710000
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=0.26780000 Y=0.26780000 Z=0.26780000
          MULT= 4          ISPLIT= 4
      -2: X=0.73220000 Y=0.23220000 Z=0.26780000
      -2: X=0.26780000 Y=0.73220000 Z=0.23220000
      -2: X=0.73220000 Y=0.76780000 Z=0.23220000
S          NPT=  781  R0=.000100000 RMT= 1.99        Z:  16.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.01010000 Y=0.01010000 Z=0.01010000
          MULT= 4          ISPLIT= 4
      -3: X=0.98990000 Y=0.48990000 Z=0.01010000
      -3: X=0.01010000 Y=0.98990000 Z=0.48990000
      -3: X=0.98990000 Y=0.51010000 Z=0.48990000
Cl         NPT=  781  R0=.000100000 RMT= 2.42        Z:  17.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503