R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.160318  6.160318 56.910990 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Sc         NPT=  781  R0=.000050000 RMT= 2.10        Z:  21.00000              
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
Sc         NPT=  781  R0=.000050000 RMT= 2.10        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.23919000 Y=0.23919000 Z=0.23919000
          MULT= 2          ISPLIT= 4
      -3: X=0.76081000 Y=0.76081000 Z=0.76081000
Al         NPT=  781  R0=.000100000 RMT= 1.73        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=0.30028000 Y=0.30028000 Z=0.30028000
          MULT= 2          ISPLIT= 4
      -4: X=0.69972000 Y=0.69972000 Z=0.69972000
O          NPT=  781  R0=.000100000 RMT= 1.73        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  -5: X=0.11816000 Y=0.11816000 Z=0.11816000
          MULT= 2          ISPLIT= 4
      -5: X=0.88184000 Y=0.88184000 Z=0.88184000
C          NPT=  781  R0=.000100000 RMT= 1.80        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000