R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
  9.346586  9.346586 31.033082 90.000000 90.000000120.000000                   
ATOM  -1: X=0.20144000 Y=0.20144000 Z=0.20144000
          MULT= 2          ISPLIT= 4
      -1: X=0.79856000 Y=0.79856000 Z=0.79856000
Na         NPT=  781  R0=.000100000 RMT= 2.20        Z:  11.00000              
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
Mg         NPT=  781  R0=.000100000 RMT= 1.95        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  -3: X=0.40951000 Y=0.40951000 Z=0.40951000
          MULT= 2          ISPLIT= 4
      -3: X=0.59049000 Y=0.59049000 Z=0.59049000
C          NPT=  781  R0=.000100000 RMT= 1.15        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  -4: X=0.20055000 Y=0.33017000 Z=0.70106000
          MULT= 6          ISPLIT= 8
      -4: X=0.79945000 Y=0.66983000 Z=0.29894000
      -4: X=0.33017000 Y=0.70106000 Z=0.20055000
      -4: X=0.66983000 Y=0.29894000 Z=0.79945000
      -4: X=0.70106000 Y=0.20055000 Z=0.33017000
      -4: X=0.29894000 Y=0.79945000 Z=0.66983000
O          NPT=  781  R0=.000100000 RMT= 1.27        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000