R   LATTICE,NONEQUIV.ATOMS   3  148 R-3     
MODE OF CALC=RELA unit=bohr
 15.837228 15.837228 13.952602 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=0.27980000 Y=0.25950000 Z=0.90200000
          MULT= 6          ISPLIT=15
      -2: X=0.72020000 Y=0.74050000 Z=0.09800000
      -2: X=0.25950000 Y=0.90200000 Z=0.27980000
      -2: X=0.74050000 Y=0.09800000 Z=0.72020000
      -2: X=0.90200000 Y=0.27980000 Z=0.25950000
      -2: X=0.09800000 Y=0.72020000 Z=0.74050000
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=0.02300000 Y=0.34570000 Z=0.63520000
          MULT= 6          ISPLIT=15
      -3: X=0.97700000 Y=0.65430000 Z=0.36480000
      -3: X=0.34570000 Y=0.63520000 Z=0.02300000
      -3: X=0.65430000 Y=0.36480000 Z=0.97700000
      -3: X=0.63520000 Y=0.02300000 Z=0.34570000
      -3: X=0.36480000 Y=0.97700000 Z=0.65430000
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