R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m    
MODE OF CALC=RELA unit=bohr
 17.255089 17.255089 25.197605 90.000000 90.000000120.000000
ATOM  -1: X=0.33600000 Y=0.33600000 Z=0.33600000
          MULT= 2          ISPLIT=15
      -1: X=0.66400000 Y=0.66400000 Z=0.66400000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
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=0.29100000 Y=0.70900000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -3: X=0.70900000 Y=0.29100000 Z=0.00000000
      -3: X=0.70900000 Y=0.00000000 Z=0.29100000
      -3: X=0.29100000 Y=0.00000000 Z=0.70900000
      -3: X=0.00000000 Y=0.29100000 Z=0.70900000
      -3: X=0.00000000 Y=0.70900000 Z=0.29100000
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=0.65100000 Y=0.15901000 Z=0.65100000
          MULT= 6          ISPLIT=15
      -4: X=0.34900000 Y=0.84099000 Z=0.34900000
      -4: X=0.15901000 Y=0.65100000 Z=0.65100000
      -4: X=0.84099000 Y=0.34900000 Z=0.34900000
      -4: X=0.65100000 Y=0.65100000 Z=0.15901000
      -4: X=0.34900000 Y=0.34900000 Z=0.84099000
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=0.09800000 Y=0.09800000 Z=0.09800000
          MULT= 2          ISPLIT=15
      -5: X=0.90200000 Y=0.90200000 Z=0.90200000
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