H   LATTICE,NONEQUIV.ATOMS   5  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.042555 14.042555 17.013204 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.52800000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.02800000
Cl         NPT=  781  R0=.000100000 RMT= 2.50        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.49589000 Y=0.50411000 Z=0.24730000
          MULT= 6          ISPLIT= 8
      -2: X=0.99178000 Y=0.49589000 Z=0.74730000
      -2: X=0.50411000 Y=0.49589000 Z=0.74730000
      -2: X=0.49589000 Y=0.99178000 Z=0.24730000
      -2: X=0.00822000 Y=0.50411000 Z=0.24730000
      -2: X=0.50411000 Y=0.00822000 Z=0.74730000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.85140000 Y=0.14860000 Z=0.36140000
          MULT= 6          ISPLIT= 8
      -3: X=0.70280000 Y=0.85140000 Z=0.86140000
      -3: X=0.14860000 Y=0.85140000 Z=0.86140000
      -3: X=0.85140000 Y=0.70280000 Z=0.36140000
      -3: X=0.29720000 Y=0.14860000 Z=0.36140000
      -3: X=0.14860000 Y=0.29720000 Z=0.86140000
S          NPT=  781  R0=.000100000 RMT= 1.98        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.10860000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666666 Y=0.33333333 Z=0.60860000
S          NPT=  781  R0=.000100000 RMT= 1.98        Z:  16.00000              
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=0.00000000 Z=0.22460000
          MULT= 2          ISPLIT= 4
      -5: X=0.00000000 Y=0.00000000 Z=0.72460000
As         NPT=  781  R0=.000050000 RMT= 2.30        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000