H   LATTICE,NONEQUIV.ATOMS   5  188 P-6c2                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.440067 12.440067 18.184835 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.33333334 Y=0.66666667 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.49        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Zn         NPT=  781  R0=.000050000 RMT= 1.99        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.39367000 Y=0.12733000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.73366000 Y=0.60633000 Z=0.25000000
      -3: X=0.87267000 Y=0.60633000 Z=0.75000000
      -3: X=0.87267000 Y=0.26634000 Z=0.25000000
      -3: X=0.73366000 Y=0.12733000 Z=0.75000000
      -3: X=0.39367000 Y=0.26634000 Z=0.75000000
Be         NPT=  781  R0=.000100000 RMT= 1.20        Z:   4.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.47067000 Y=0.37133000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.90066000 Y=0.52933000 Z=0.25000000
      -4: X=0.62867000 Y=0.52933000 Z=0.75000000
      -4: X=0.62867000 Y=0.09934000 Z=0.25000000
      -4: X=0.90066000 Y=0.37133000 Z=0.75000000
      -4: X=0.47067000 Y=0.09934000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.47        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00667000 Y=0.25633000 Z=0.11900000
          MULT=12          ISPLIT= 8
      -5: X=0.24966000 Y=0.99333000 Z=0.38100000
      -5: X=0.74367000 Y=0.99333000 Z=0.88100000
      -5: X=0.74367000 Y=0.75034000 Z=0.11900000
      -5: X=0.24966000 Y=0.25633000 Z=0.61900000
      -5: X=0.00667000 Y=0.25633000 Z=0.38100000
      -5: X=0.00667000 Y=0.75034000 Z=0.88100000
      -5: X=0.24966000 Y=0.99333000 Z=0.11900000
      -5: X=0.74367000 Y=0.99333000 Z=0.61900000
      -5: X=0.74367000 Y=0.75034000 Z=0.38100000
      -5: X=0.24966000 Y=0.25633000 Z=0.88100000
      -5: X=0.00667000 Y=0.75034000 Z=0.61900000
F          NPT=  781  R0=.000100000 RMT= 1.47        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000