R   LATTICE,NONEQUIV.ATOMS   3  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.767995  9.767995 25.860903 90.000000 90.000000120.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.75000000 Y=0.75000000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 1.61        Z:   3.00000              
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=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 1.97        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.61737000 Y=0.88263000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.38263000 Y=0.11737000 Z=0.75000000
      -3: X=0.88263000 Y=0.25000000 Z=0.61737000
      -3: X=0.11737000 Y=0.75000000 Z=0.38263000
      -3: X=0.25000000 Y=0.61737000 Z=0.88263000
      -3: X=0.75000000 Y=0.38263000 Z=0.11737000
O          NPT=  781  R0=.000100000 RMT= 1.78        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000