R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
  9.849253  9.849253 27.127019 90.000000 90.000000120.000000                   
ATOM  -1: X=0.12100000 Y=0.12100000 Z=0.12100000
          MULT= 2          ISPLIT= 4
      -1: X=0.87900000 Y=0.87900000 Z=0.87900000
Li         NPT=  781  R0=.000100000 RMT= 1.70        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=0.35430000 Y=0.35430000 Z=0.35430000
          MULT= 2          ISPLIT= 4
      -2: X=0.64570000 Y=0.64570000 Z=0.64570000
Nb         NPT=  781  R0=.000010000 RMT= 1.89        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=0.44300000 Y=0.72499000 Z=0.04600000
          MULT= 6          ISPLIT= 8
      -3: X=0.55700000 Y=0.27501000 Z=0.95400000
      -3: X=0.72499000 Y=0.04600000 Z=0.44300000
      -3: X=0.27501000 Y=0.95400000 Z=0.55700000
      -3: X=0.04600000 Y=0.44300000 Z=0.72499000
      -3: X=0.95400000 Y=0.55700000 Z=0.27501000
O          NPT=  781  R0=.000100000 RMT= 1.71        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000