H   LATTICE,NONEQUIV.ATOMS   6  194 P63/mmc 
MODE OF CALC=RELA unit=bohr
 16.650377 16.650377 17.270207 90.000000 90.000000120.000000
ATOM  -1: X=0.19500000 Y=0.39000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -1: X=0.80500000 Y=0.61000000 Z=0.75000000
      -1: X=0.80500000 Y=0.19500000 Z=0.75000000
      -1: X=0.19500000 Y=0.80500000 Z=0.25000000
      -1: X=0.39000000 Y=0.19500000 Z=0.75000000
      -1: X=0.61000000 Y=0.80500000 Z=0.25000000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Zn         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  30.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.00500000
          MULT= 4          ISPLIT=15
      -3: X=0.66666667 Y=0.33333333 Z=0.99500000
      -3: X=0.66666666 Y=0.33333333 Z=0.50500000
      -3: X=0.33333334 Y=0.66666667 Z=0.49500000
Zn         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  30.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
      -4: X=0.00000000 Y=0.50000000 Z=0.50000000
      -4: X=0.00000000 Y=0.50000000 Z=0.00000000
      -4: X=0.50000000 Y=0.00000000 Z=0.50000000
      -4: X=0.50000000 Y=0.50000000 Z=0.00000000
Zn         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  30.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.56800000 Y=0.13600000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -5: X=0.43200000 Y=0.86400000 Z=0.75000000
      -5: X=0.43200000 Y=0.56800000 Z=0.75000000
      -5: X=0.56800000 Y=0.43200000 Z=0.25000000
      -5: X=0.13600000 Y=0.56800000 Z=0.75000000
      -5: X=0.86400000 Y=0.43200000 Z=0.25000000
Zn         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  30.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.16000000 Y=0.32000000 Z=0.59000000
          MULT=12          ISPLIT=15
      -6: X=0.84000000 Y=0.68000000 Z=0.41000000
      -6: X=0.84000000 Y=0.16000000 Z=0.09000000
      -6: X=0.16000000 Y=0.84000000 Z=0.91000000
      -6: X=0.32000000 Y=0.16000000 Z=0.09000000
      -6: X=0.68000000 Y=0.84000000 Z=0.91000000
      -6: X=0.68000000 Y=0.84000000 Z=0.59000000
      -6: X=0.32000000 Y=0.16000000 Z=0.41000000
      -6: X=0.84000000 Y=0.68000000 Z=0.09000000
      -6: X=0.16000000 Y=0.32000000 Z=0.91000000
      -6: X=0.16000000 Y=0.84000000 Z=0.59000000
      -6: X=0.84000000 Y=0.16000000 Z=0.41000000
Zn         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  30.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000