H   LATTICE,NONEQUIV.ATOMS   4  180 P6222                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.598804 12.598804 18.999307 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.16700000
          MULT= 6          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.50033333
      -1: X=0.00000000 Y=0.50000000 Z=0.49966669
      -1: X=0.00000000 Y=0.50000000 Z=0.83366667
      -1: X=0.50000000 Y=0.00000000 Z=0.83300000
      -1: X=0.50000000 Y=0.50000000 Z=0.16633333
Hg         NPT=  781  R0=.000005000 RMT= 2.09        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=0.50000000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -2: X=0.50000000 Y=0.50000000 Z=0.83333333
      -2: X=0.00000000 Y=0.50000000 Z=0.16666669
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.8660254 0.5000000 0.0000000
                    -0.5000000 0.8660254 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 Z=0.33333333
      -3: X=0.00000000 Y=0.00000000 Z=0.66666669
Na         NPT=  781  R0=.000100000 RMT= 2.26        Z:  11.00000              
LOCAL ROT MATRIX:    0.8660254 0.5000000 0.0000000
                    -0.5000000 0.8660254 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.15000000 Y=0.30000000 Z=0.50000000
          MULT= 6          ISPLIT= 8
      -4: X=0.85000000 Y=0.15000000 Z=0.83333333
      -4: X=0.70000000 Y=0.85000000 Z=0.16666669
      -4: X=0.85000000 Y=0.70000000 Z=0.50000000
      -4: X=0.15000000 Y=0.85000000 Z=0.83333333
      -4: X=0.30000000 Y=0.15000000 Z=0.16666667
O          NPT=  781  R0=.000100000 RMT= 1.71        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000