R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m    
MODE OF CALC=RELA unit=bohr
  6.806227  6.806227 51.324964 90.000000 90.000000120.000000
ATOM  -1: X=0.38087000 Y=0.38087000 Z=0.38087000
          MULT= 2          ISPLIT=15
      -1: X=0.61913000 Y=0.61913000 Z=0.61913000
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=0.22230000 Y=0.22230000 Z=0.22230000
          MULT= 2          ISPLIT=15
      -2: X=0.77770000 Y=0.77770000 Z=0.77770000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
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=0.00000000
          MULT= 1          ISPLIT=15
C          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   6.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000