H   LATTICE,NONEQUIV.ATOMS   5  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.539768 19.539768 15.008205 90.000000 90.000000120.000000                   
ATOM  -1: X=0.14700000 Y=0.85300000 Z=0.29600000
          MULT= 6          ISPLIT= 8
      -1: X=0.29400000 Y=0.14700000 Z=0.79600000
      -1: X=0.85300000 Y=0.14700000 Z=0.79600000
      -1: X=0.14700000 Y=0.29400000 Z=0.29600000
      -1: X=0.70600000 Y=0.85300000 Z=0.29600000
      -1: X=0.85300000 Y=0.70600000 Z=0.79600000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.52800000 Y=0.47200000 Z=0.12400000
          MULT= 6          ISPLIT= 8
      -2: X=0.05600000 Y=0.52800000 Z=0.62400000
      -2: X=0.47200000 Y=0.52800000 Z=0.62400000
      -2: X=0.52800000 Y=0.05600000 Z=0.12400000
      -2: X=0.94400000 Y=0.47200000 Z=0.12400000
      -2: X=0.47200000 Y=0.94400000 Z=0.62400000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666666 Y=0.33333333 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     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  -4: X=0.33333333 Y=0.66666667 Z=0.33200000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666666 Y=0.33333333 Z=0.83200000
S          NPT=  781  R0=.000100000 RMT= 2.17        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=0.80900000 Y=0.19100000 Z=0.39500000
          MULT= 6          ISPLIT= 8
      -5: X=0.61800000 Y=0.80900000 Z=0.89500000
      -5: X=0.19100000 Y=0.80900000 Z=0.89500000
      -5: X=0.80900000 Y=0.61800000 Z=0.39500000
      -5: X=0.38200000 Y=0.19100000 Z=0.39500000
      -5: X=0.19100000 Y=0.38200000 Z=0.89500000
S          NPT=  781  R0=.000100000 RMT= 2.17        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000