H   LATTICE,NONEQUIV.ATOMS   5  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.040665 14.040665 17.695396 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.52420000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.02420000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.49540000 Y=0.50460000 Z=0.24580000
          MULT= 6          ISPLIT= 8
      -2: X=0.99080000 Y=0.49540000 Z=0.74580000
      -2: X=0.50460000 Y=0.49540000 Z=0.74580000
      -2: X=0.49540000 Y=0.99080000 Z=0.24580000
      -2: X=0.00920000 Y=0.50460000 Z=0.24580000
      -2: X=0.50460000 Y=0.00920000 Z=0.74580000
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=0.85120000 Y=0.14880000 Z=0.36060000
          MULT= 6          ISPLIT= 8
      -3: X=0.70240000 Y=0.85120000 Z=0.86060000
      -3: X=0.14880000 Y=0.85120000 Z=0.86060000
      -3: X=0.85120000 Y=0.70240000 Z=0.36060000
      -3: X=0.29760000 Y=0.14880000 Z=0.36060000
      -3: X=0.14880000 Y=0.29760000 Z=0.86060000
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=0.10880000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666666 Y=0.33333333 Z=0.60880000
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=0.22780000
          MULT= 2          ISPLIT= 4
      -5: X=0.00000000 Y=0.00000000 Z=0.72780000
As         NPT=  781  R0=.000050000 RMT= 2.31        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000