R   LATTICE,NONEQUIV.ATOMS   3  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.806470 16.806470 24.664706 90.000000 90.000000120.000000                   
ATOM  -1: X=0.60247000 Y=0.89753000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.39753000 Y=0.10247000 Z=0.75000000
      -1: X=0.89753000 Y=0.25000000 Z=0.60247000
      -1: X=0.10247000 Y=0.75000000 Z=0.39753000
      -1: X=0.25000000 Y=0.60247000 Z=0.89753000
      -1: X=0.75000000 Y=0.39753000 Z=0.10247000
Hg         NPT=  781  R0=.000005000 RMT= 2.10        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  -2: X=0.11270000 Y=0.11270000 Z=0.11270000
          MULT= 4          ISPLIT= 4
      -2: X=0.88730000 Y=0.88730000 Z=0.88730000
      -2: X=0.61270000 Y=0.61270000 Z=0.61270000
      -2: X=0.38730000 Y=0.38730000 Z=0.38730000
B          NPT=  781  R0=.000100000 RMT= 1.19        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.28870000 Y=0.00730000 Z=0.03730000
          MULT=12          ISPLIT= 8
      -3: X=0.71130000 Y=0.99270000 Z=0.96270000
      -3: X=0.00730000 Y=0.03730000 Z=0.28870000
      -3: X=0.99270000 Y=0.96270000 Z=0.71130000
      -3: X=0.78870000 Y=0.53730000 Z=0.50730000
      -3: X=0.21130000 Y=0.46270000 Z=0.49270000
      -3: X=0.03730000 Y=0.28870000 Z=0.00730000
      -3: X=0.96270000 Y=0.71130000 Z=0.99270000
      -3: X=0.53730000 Y=0.50730000 Z=0.78870000
      -3: X=0.46270000 Y=0.49270000 Z=0.21130000
      -3: X=0.50730000 Y=0.78870000 Z=0.53730000
      -3: X=0.49270000 Y=0.21130000 Z=0.46270000
O          NPT=  781  R0=.000100000 RMT= 1.39        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000