H   LATTICE,NONEQUIV.ATOMS   3  193 P63/mcm                                    
MODE OF CALC=RELA unit=bohr                                                    
 13.216178 13.216178 19.176941 90.000000 90.000000120.000000                   
ATOM  -1: X=0.24160000 Y=0.00000000 Z=0.10980000
          MULT=12          ISPLIT= 8
      -1: X=0.75840000 Y=0.00000000 Z=0.89020000
      -1: X=0.24160000 Y=0.24160000 Z=0.60980000
      -1: X=0.75840000 Y=0.75840000 Z=0.39020000
      -1: X=0.00000000 Y=0.24160000 Z=0.10980000
      -1: X=0.00000000 Y=0.75840000 Z=0.89020000
      -1: X=0.75840000 Y=0.00000000 Z=0.60980000
      -1: X=0.24160000 Y=0.00000000 Z=0.39020000
      -1: X=0.75840000 Y=0.75840000 Z=0.10980000
      -1: X=0.24160000 Y=0.24160000 Z=0.89020000
      -1: X=0.00000000 Y=0.75840000 Z=0.60980000
      -1: X=0.00000000 Y=0.24160000 Z=0.39020000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.00000000
      -2: X=0.66666666 Y=0.33333333 Z=0.50000000
      -2: X=0.33333334 Y=0.66666667 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.58640000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.41360000 Y=0.00000000 Z=0.75000000
      -3: X=0.58640000 Y=0.58640000 Z=0.75000000
      -3: X=0.41360000 Y=0.41360000 Z=0.25000000
      -3: X=0.00000000 Y=0.58640000 Z=0.25000000
      -3: X=0.00000000 Y=0.41360000 Z=0.75000000
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