B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.347566 23.347566 23.347566 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10500000 Y=0.36500000 Z=0.13000000
          MULT=24          ISPLIT= 8
      -1: X=0.89500000 Y=0.63500000 Z=0.87000000
      -1: X=0.89500000 Y=0.13500000 Z=0.13000000
      -1: X=0.10500000 Y=0.86500000 Z=0.87000000
      -1: X=0.10500000 Y=0.63500000 Z=0.37000000
      -1: X=0.89500000 Y=0.36500000 Z=0.63000000
      -1: X=0.13000000 Y=0.10500000 Z=0.36500000
      -1: X=0.87000000 Y=0.89500000 Z=0.63500000
      -1: X=0.89500000 Y=0.86500000 Z=0.37000000
      -1: X=0.10500000 Y=0.13500000 Z=0.63000000
      -1: X=0.87000000 Y=0.39500000 Z=0.36500000
      -1: X=0.13000000 Y=0.60500000 Z=0.63500000
      -1: X=0.13000000 Y=0.89500000 Z=0.13500000
      -1: X=0.87000000 Y=0.10500000 Z=0.86500000
      -1: X=0.87000000 Y=0.60500000 Z=0.13500000
      -1: X=0.13000000 Y=0.39500000 Z=0.86500000
      -1: X=0.36500000 Y=0.13000000 Z=0.10500000
      -1: X=0.63500000 Y=0.87000000 Z=0.89500000
      -1: X=0.63500000 Y=0.37000000 Z=0.10500000
      -1: X=0.36500000 Y=0.63000000 Z=0.89500000
      -1: X=0.36500000 Y=0.87000000 Z=0.39500000
      -1: X=0.63500000 Y=0.13000000 Z=0.60500000
      -1: X=0.63500000 Y=0.63000000 Z=0.39500000
      -1: X=0.36500000 Y=0.37000000 Z=0.60500000
Mg         NPT=  781  R0=.000100000 RMT= 2.34        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  33.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.28000000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -3: X=0.72000000 Y=0.00000000 Z=0.75000000
      -3: X=0.72000000 Y=0.50000000 Z=0.25000000
      -3: X=0.28000000 Y=0.50000000 Z=0.75000000
      -3: X=0.25000000 Y=0.28000000 Z=0.00000000
      -3: X=0.75000000 Y=0.72000000 Z=0.00000000
      -3: X=0.75000000 Y=0.22000000 Z=0.00000000
      -3: X=0.25000000 Y=0.78000000 Z=0.00000000
      -3: X=0.00000000 Y=0.25000000 Z=0.28000000
      -3: X=0.00000000 Y=0.75000000 Z=0.72000000
      -3: X=0.00000000 Y=0.75000000 Z=0.22000000
      -3: X=0.00000000 Y=0.25000000 Z=0.78000000
As         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000