R   LATTICE,NONEQUIV.ATOMS   7  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.239876  6.239876 92.143045 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Hf         NPT=  781  R0=.000005000 RMT= 2.44        Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.38753000 Y=0.38753000 Z=0.38753000
          MULT= 2          ISPLIT= 4
      -2: X=0.61247000 Y=0.61247000 Z=0.61247000
Hf         NPT=  781  R0=.000005000 RMT= 2.44        Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.23243000 Y=0.23243000 Z=0.23243000
          MULT= 2          ISPLIT= 4
      -3: X=0.76757000 Y=0.76757000 Z=0.76757000
Al         NPT=  781  R0=.000100000 RMT= 1.91        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  -4: X=0.14760000 Y=0.14760000 Z=0.14760000
          MULT= 2          ISPLIT= 4
      -4: X=0.85240000 Y=0.85240000 Z=0.85240000
Al         NPT=  781  R0=.000100000 RMT= 1.91        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  -5: X=0.30603000 Y=0.30603000 Z=0.30603000
          MULT= 2          ISPLIT= 4
      -5: X=0.69397000 Y=0.69397000 Z=0.69397000
C          NPT=  781  R0=.000100000 RMT= 1.73        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.08230000 Y=0.08230000 Z=0.08230000
          MULT= 2          ISPLIT= 4
      -6: X=0.91770000 Y=0.91770000 Z=0.91770000
C          NPT=  781  R0=.000100000 RMT= 1.73        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.19253000 Y=0.19253000 Z=0.19253000
          MULT= 2          ISPLIT= 4
      -7: X=0.80747000 Y=0.80747000 Z=0.80747000
C          NPT=  781  R0=.000100000 RMT= 1.73        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000