R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.732090  9.732090 32.673365 90.000000 90.000000120.000000                   
ATOM  -1: X=0.21030000 Y=0.21030000 Z=0.21030000
          MULT= 2          ISPLIT= 4
      -1: X=0.78970000 Y=0.78970000 Z=0.78970000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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= 1.97        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=0.40390000 Y=0.40390000 Z=0.40390000
          MULT= 2          ISPLIT= 4
      -3: X=0.59610000 Y=0.59610000 Z=0.59610000
C          NPT=  781  R0=.000100000 RMT= 1.14        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=0.73910000 Y=0.30771000 Z=0.73910000
          MULT= 6          ISPLIT= 8
      -4: X=0.26090000 Y=0.69229000 Z=0.26090000
      -4: X=0.30771000 Y=0.73910000 Z=0.73910000
      -4: X=0.69229000 Y=0.26090000 Z=0.26090000
      -4: X=0.73910000 Y=0.73910000 Z=0.30771000
      -4: X=0.26090000 Y=0.26090000 Z=0.69229000
O          NPT=  781  R0=.000100000 RMT= 1.26        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000