B   LATTICE,NONEQUIV.ATOMS   3  220 I-43d                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.197393 20.197393 20.197393 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04500000 Y=0.38700000 Z=0.14800000
          MULT=24          ISPLIT= 8
      -1: X=0.63700000 Y=0.70500000 Z=0.10200000
      -1: X=0.04500000 Y=0.61300000 Z=0.35200000
      -1: X=0.14800000 Y=0.04500000 Z=0.38700000
      -1: X=0.95500000 Y=0.11300000 Z=0.14800000
      -1: X=0.86300000 Y=0.70500000 Z=0.89800000
      -1: X=0.29500000 Y=0.60200000 Z=0.86300000
      -1: X=0.86300000 Y=0.29500000 Z=0.60200000
      -1: X=0.95500000 Y=0.88700000 Z=0.35200000
      -1: X=0.85200000 Y=0.45500000 Z=0.38700000
      -1: X=0.63700000 Y=0.29500000 Z=0.39800000
      -1: X=0.20500000 Y=0.39800000 Z=0.36300000
      -1: X=0.14800000 Y=0.95500000 Z=0.11300000
      -1: X=0.20500000 Y=0.60200000 Z=0.13700000
      -1: X=0.85200000 Y=0.54500000 Z=0.11300000
      -1: X=0.29500000 Y=0.39800000 Z=0.63700000
      -1: X=0.10200000 Y=0.63700000 Z=0.70500000
      -1: X=0.38700000 Y=0.14800000 Z=0.04500000
      -1: X=0.39800000 Y=0.36300000 Z=0.20500000
      -1: X=0.61300000 Y=0.35200000 Z=0.04500000
      -1: X=0.10200000 Y=0.36300000 Z=0.79500000
      -1: X=0.61300000 Y=0.64800000 Z=0.45500000
      -1: X=0.39800000 Y=0.63700000 Z=0.29500000
      -1: X=0.38700000 Y=0.85200000 Z=0.45500000
Li         NPT=  781  R0=.000100000 RMT= 2.29        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.37500000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT=-2
      -2: X=0.25000000 Y=0.37500000 Z=0.00000000
      -2: X=0.62500000 Y=0.50000000 Z=0.25000000
      -2: X=0.25000000 Y=0.62500000 Z=0.50000000
      -2: X=0.00000000 Y=0.25000000 Z=0.37500000
      -2: X=0.00000000 Y=0.75000000 Z=0.12500000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.21050000 Y=0.21050000 Z=0.21050000
          MULT= 8          ISPLIT= 4
      -3: X=0.46050000 Y=0.53950000 Z=0.03950000
      -3: X=0.21050000 Y=0.78950000 Z=0.28950000
      -3: X=0.78950000 Y=0.28950000 Z=0.21050000
      -3: X=0.03950000 Y=0.53950000 Z=0.96050000
      -3: X=0.03950000 Y=0.46050000 Z=0.53950000
      -3: X=0.78950000 Y=0.71050000 Z=0.28950000
      -3: X=0.46050000 Y=0.46050000 Z=0.46050000
Si         NPT=  781  R0=.000100000 RMT= 2.49        Z:  14.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503