H   LATTICE,NONEQUIV.ATOMS   5  165 P-3c1                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.800876  9.800876 26.729231 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.01660000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.98340000
      -1: X=0.33333333 Y=0.66666667 Z=0.51660000
      -1: X=0.66666667 Y=0.33333333 Z=0.48340000
Zn         NPT=  781  R0=.000050000 RMT= 2.01        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=0.33333333 Y=0.66666667 Z=0.29630000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.70370000
      -2: X=0.33333333 Y=0.66666667 Z=0.79630000
      -2: X=0.66666667 Y=0.33333333 Z=0.20370000
Zn         NPT=  781  R0=.000050000 RMT= 2.01        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=0.00000000 Y=0.00000000 Z=0.14060000
          MULT= 4          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.85940000
      -3: X=0.00000000 Y=0.00000000 Z=0.64060000
      -3: X=0.00000000 Y=0.00000000 Z=0.35940000
Nb         NPT=  781  R0=.000010000 RMT= 1.88        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.35090000 Y=0.30720000 Z=0.08190000
          MULT=12          ISPLIT= 8
      -4: X=0.64910000 Y=0.69280000 Z=0.91810000
      -4: X=0.69280000 Y=0.04370000 Z=0.08190000
      -4: X=0.30720000 Y=0.95630000 Z=0.91810000
      -4: X=0.69280000 Y=0.64910000 Z=0.58190000
      -4: X=0.30720000 Y=0.35090000 Z=0.41810000
      -4: X=0.95630000 Y=0.64910000 Z=0.08190000
      -4: X=0.04370000 Y=0.35090000 Z=0.91810000
      -4: X=0.35090000 Y=0.04370000 Z=0.58190000
      -4: X=0.64910000 Y=0.95630000 Z=0.41810000
      -4: X=0.95630000 Y=0.30720000 Z=0.58190000
      -4: X=0.04370000 Y=0.69280000 Z=0.41810000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.28210000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.71790000 Y=0.00000000 Z=0.75000000
      -5: X=0.00000000 Y=0.28210000 Z=0.25000000
      -5: X=0.00000000 Y=0.71790000 Z=0.75000000
      -5: X=0.71790000 Y=0.71790000 Z=0.25000000
      -5: X=0.28210000 Y=0.28210000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000