R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m    
MODE OF CALC=RELA unit=bohr
 15.756538 15.756538 13.893266 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.71500000 Y=0.12899000 Z=0.71500000
          MULT= 6          ISPLIT=15
      -2: X=0.28500000 Y=0.87101000 Z=0.28500000
      -2: X=0.12899000 Y=0.71500000 Z=0.71500000
      -2: X=0.87101000 Y=0.28500000 Z=0.28500000
      -2: X=0.71500000 Y=0.71500000 Z=0.12899000
      -2: X=0.28500000 Y=0.28500000 Z=0.87101000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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  -3: X=0.34000000 Y=0.66000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -3: X=0.66000000 Y=0.34000000 Z=0.00000000
      -3: X=0.66000000 Y=0.00000000 Z=0.34000000
      -3: X=0.34000000 Y=0.00000000 Z=0.66000000
      -3: X=0.00000000 Y=0.34000000 Z=0.66000000
      -3: X=0.00000000 Y=0.66000000 Z=0.34000000
Li         NPT=  781  R0=.000100000 RMT=   2.00000   Z:   3.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000