R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.948739 11.948739 58.694893 90.000000 90.000000120.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 4
      -1: X=0.87500000 Y=0.87500000 Z=0.87500000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.29170000 Y=0.29170000 Z=0.29170000
          MULT= 2          ISPLIT= 4
      -2: X=0.70830000 Y=0.70830000 Z=0.70830000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.62500000 Y=0.12500000 Z=0.62500000
          MULT= 6          ISPLIT= 8
      -3: X=0.37500000 Y=0.87500000 Z=0.37500000
      -3: X=0.12500000 Y=0.62500000 Z=0.62500000
      -3: X=0.87500000 Y=0.37500000 Z=0.37500000
      -3: X=0.62500000 Y=0.62500000 Z=0.12500000
      -3: X=0.37500000 Y=0.37500000 Z=0.87500000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.79170000 Y=0.29170000 Z=0.79170000
          MULT= 6          ISPLIT= 8
      -4: X=0.20830000 Y=0.70830000 Z=0.20830000
      -4: X=0.29170000 Y=0.79170000 Z=0.79170000
      -4: X=0.70830000 Y=0.20830000 Z=0.20830000
      -4: X=0.79170000 Y=0.79170000 Z=0.29170000
      -4: X=0.20830000 Y=0.20830000 Z=0.70830000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000