B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.812224 18.812224 18.812224 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09785000 Y=0.36076000 Z=0.13216000
          MULT=24          ISPLIT= 8
      -1: X=0.90215000 Y=0.63924000 Z=0.86784000
      -1: X=0.90215000 Y=0.13924000 Z=0.13216000
      -1: X=0.09785000 Y=0.86076000 Z=0.86784000
      -1: X=0.09785000 Y=0.63924000 Z=0.36784000
      -1: X=0.90215000 Y=0.36076000 Z=0.63216000
      -1: X=0.13216000 Y=0.09785000 Z=0.36076000
      -1: X=0.86784000 Y=0.90215000 Z=0.63924000
      -1: X=0.90215000 Y=0.86076000 Z=0.36784000
      -1: X=0.09785000 Y=0.13924000 Z=0.63216000
      -1: X=0.86784000 Y=0.40215000 Z=0.36076000
      -1: X=0.13216000 Y=0.59785000 Z=0.63924000
      -1: X=0.13216000 Y=0.90215000 Z=0.13924000
      -1: X=0.86784000 Y=0.09785000 Z=0.86076000
      -1: X=0.86784000 Y=0.59785000 Z=0.13924000
      -1: X=0.13216000 Y=0.40215000 Z=0.86076000
      -1: X=0.36076000 Y=0.13216000 Z=0.09785000
      -1: X=0.63924000 Y=0.86784000 Z=0.90215000
      -1: X=0.63924000 Y=0.36784000 Z=0.09785000
      -1: X=0.36076000 Y=0.63216000 Z=0.90215000
      -1: X=0.36076000 Y=0.86784000 Z=0.40215000
      -1: X=0.63924000 Y=0.13216000 Z=0.59785000
      -1: X=0.63924000 Y=0.63216000 Z=0.40215000
      -1: X=0.36076000 Y=0.36784000 Z=0.59785000
Mg         NPT=  781  R0=.000100000 RMT= 2.01        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=0.28050000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -2: X=0.71950000 Y=0.00000000 Z=0.75000000
      -2: X=0.71950000 Y=0.50000000 Z=0.25000000
      -2: X=0.28050000 Y=0.50000000 Z=0.75000000
      -2: X=0.25000000 Y=0.28050000 Z=0.00000000
      -2: X=0.75000000 Y=0.71950000 Z=0.00000000
      -2: X=0.75000000 Y=0.21950000 Z=0.00000000
      -2: X=0.25000000 Y=0.78050000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.28050000
      -2: X=0.00000000 Y=0.75000000 Z=0.71950000
      -2: X=0.00000000 Y=0.75000000 Z=0.21950000
      -2: X=0.00000000 Y=0.25000000 Z=0.78050000
N          NPT=  781  R0=.000100000 RMT= 1.91        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
      -3: X=0.00000000 Y=0.50000000 Z=0.50000000
N          NPT=  781  R0=.000100000 RMT= 1.91        Z:   7.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503