H   LATTICE,NONEQUIV.ATOMS   5  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.069896 17.069896 12.911932 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.07210000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.57210000
Ca         NPT=  781  R0=.000050000 RMT= 2.06        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.80196000 Y=0.19804000 Z=0.00022000
          MULT= 6          ISPLIT= 8
      -2: X=0.60392000 Y=0.80196000 Z=0.50022000
      -2: X=0.19804000 Y=0.80196000 Z=0.50022000
      -2: X=0.80196000 Y=0.60392000 Z=0.00022000
      -2: X=0.39608000 Y=0.19804000 Z=0.00022000
      -2: X=0.19804000 Y=0.39608000 Z=0.50022000
Ca         NPT=  781  R0=.000050000 RMT= 2.06        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.53629000 Y=0.46371000 Z=0.29198000
          MULT= 6          ISPLIT= 8
      -3: X=0.07258000 Y=0.53629000 Z=0.79198000
      -3: X=0.46371000 Y=0.53629000 Z=0.79198000
      -3: X=0.53629000 Y=0.07258000 Z=0.29198000
      -3: X=0.92742000 Y=0.46371000 Z=0.29198000
      -3: X=0.46371000 Y=0.92742000 Z=0.79198000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.13667000 Y=0.86333000 Z=0.11547000
          MULT= 6          ISPLIT= 8
      -4: X=0.27334000 Y=0.13667000 Z=0.61547000
      -4: X=0.86333000 Y=0.13667000 Z=0.61547000
      -4: X=0.13667000 Y=0.27334000 Z=0.11547000
      -4: X=0.72666000 Y=0.86333000 Z=0.11547000
      -4: X=0.86333000 Y=0.72666000 Z=0.61547000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.33333333 Y=0.66666667 Z=0.39340000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666666 Y=0.33333333 Z=0.89340000
O          NPT=  781  R0=.000100000 RMT= 2.06        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000