R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.518886  8.518886 26.945604 90.000000 90.000000120.000000                   
ATOM  -1: X=0.19640000 Y=0.19640000 Z=0.19640000
          MULT= 2          ISPLIT= 4
      -1: X=0.80360000 Y=0.80360000 Z=0.80360000
Al         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  13.00000              
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= 1          ISPLIT= 4
Li         NPT=  781  R0=.000100000 RMT= 2.35        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  -3: X=0.40150000 Y=0.40150000 Z=0.40150000
          MULT= 2          ISPLIT= 4
      -3: X=0.59850000 Y=0.59850000 Z=0.59850000
Li         NPT=  781  R0=.000100000 RMT= 2.35        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000