H   LATTICE,NONEQUIV.ATOMS   5  194 P63/mmc 
MODE OF CALC=RELA unit=bohr
 16.109915 16.109915 16.348021 90.000000 90.000000120.000000
ATOM  -1: X=0.20300000 Y=0.40600000 Z=0.04700000
          MULT=12          ISPLIT=15
      -1: X=0.79700000 Y=0.59400000 Z=0.95300000
      -1: X=0.79700000 Y=0.20300000 Z=0.54700000
      -1: X=0.20300000 Y=0.79700000 Z=0.45300000
      -1: X=0.40600000 Y=0.20300000 Z=0.54700000
      -1: X=0.59400000 Y=0.79700000 Z=0.45300000
      -1: X=0.59400000 Y=0.79700000 Z=0.04700000
      -1: X=0.40600000 Y=0.20300000 Z=0.95300000
      -1: X=0.79700000 Y=0.59400000 Z=0.54700000
      -1: X=0.20300000 Y=0.40600000 Z=0.45300000
      -1: X=0.20300000 Y=0.79700000 Z=0.04700000
      -1: X=0.79700000 Y=0.20300000 Z=0.95300000
Zr         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  40.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.54000000 Y=0.08000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -2: X=0.46000000 Y=0.92000000 Z=0.75000000
      -2: X=0.46000000 Y=0.54000000 Z=0.75000000
      -2: X=0.54000000 Y=0.46000000 Z=0.25000000
      -2: X=0.08000000 Y=0.54000000 Z=0.75000000
      -2: X=0.92000000 Y=0.46000000 Z=0.25000000
Zr         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  40.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.89000000 Y=0.78000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -3: X=0.11000000 Y=0.22000000 Z=0.75000000
      -3: X=0.11000000 Y=0.89000000 Z=0.75000000
      -3: X=0.89000000 Y=0.11000000 Z=0.25000000
      -3: X=0.78000000 Y=0.89000000 Z=0.75000000
      -3: X=0.22000000 Y=0.11000000 Z=0.25000000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT=15
      -5: X=0.66666667 Y=0.33333333 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000