H   LATTICE,NONEQUIV.ATOMS   6  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.190331 14.190331 11.368403 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Zn         NPT=  781  R0=.000050000 RMT= 2.21        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  -2: X=0.86403000 Y=0.13597000 Z=0.19910000
          MULT= 6          ISPLIT= 8
      -2: X=0.13597000 Y=0.86403000 Z=0.80090000
      -2: X=0.86403000 Y=0.72806000 Z=0.19910000
      -2: X=0.13597000 Y=0.27194000 Z=0.80090000
      -2: X=0.27194000 Y=0.13597000 Z=0.19910000
      -2: X=0.72806000 Y=0.86403000 Z=0.80090000
N          NPT=  781  R0=.000100000 RMT= 1.09        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.19200000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.80800000
N          NPT=  781  R0=.000100000 RMT= 1.09        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.78195000 Y=0.21805000 Z=0.26530000
          MULT= 6          ISPLIT= 8
      -4: X=0.21805000 Y=0.78195000 Z=0.73470000
      -4: X=0.78195000 Y=0.56390000 Z=0.26530000
      -4: X=0.21805000 Y=0.43610000 Z=0.73470000
      -4: X=0.43610000 Y=0.21805000 Z=0.26530000
      -4: X=0.56390000 Y=0.78195000 Z=0.73470000
C          NPT=  781  R0=.000100000 RMT= 1.04        Z:   6.00000              
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=0.38020000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 Z=0.61980000
C          NPT=  781  R0=.000100000 RMT= 1.04        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.33333333 Y=0.66666667 Z=0.64440000
          MULT= 2          ISPLIT= 4
      -6: X=0.66666667 Y=0.33333333 Z=0.35560000
B          NPT=  781  R0=.000100000 RMT= 1.46        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000