R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.942854  6.942854 68.219114 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.22920000 Y=0.22920000 Z=0.22920000
          MULT= 2          ISPLIT= 4
      -2: X=0.77080000 Y=0.77080000 Z=0.77080000
Al         NPT=  781  R0=.000100000 RMT= 2.17        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  -3: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 4
      -3: X=0.87500000 Y=0.87500000 Z=0.87500000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.29170000 Y=0.29170000 Z=0.29170000
          MULT= 2          ISPLIT= 4
      -4: X=0.70830000 Y=0.70830000 Z=0.70830000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000