R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m    
MODE OF CALC=RELA unit=bohr
 16.856358 16.856358 24.747852 90.000000 90.000000120.000000
ATOM  -1: X=0.33500000 Y=0.33500000 Z=0.33500000
          MULT= 2          ISPLIT=15
      -1: X=0.66500000 Y=0.66500000 Z=0.66500000
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=1.00000000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -2: X=1.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.50000000 Y=1.00000000 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  -3: X=0.30000000 Y=0.70000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -3: X=0.70000000 Y=0.30000000 Z=0.00000000
      -3: X=0.70000000 Y=0.00000000 Z=0.30000000
      -3: X=0.30000000 Y=0.00000000 Z=0.70000000
      -3: X=0.00000000 Y=0.30000000 Z=0.70000000
      -3: X=0.00000000 Y=0.70000000 Z=0.30000000
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=0.64700000 Y=0.16101000 Z=0.64700000
          MULT= 6          ISPLIT=15
      -4: X=0.35300000 Y=0.83899000 Z=0.35300000
      -4: X=0.16101000 Y=0.64700000 Z=0.64700000
      -4: X=0.83899000 Y=0.35300000 Z=0.35300000
      -4: X=0.64700000 Y=0.64700000 Z=0.16101000
      -4: X=0.35300000 Y=0.35300000 Z=0.83899000
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=0.10100000 Y=0.10100000 Z=0.10100000
          MULT= 2          ISPLIT=15
      -5: X=0.89900000 Y=0.89900000 Z=0.89900000
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