B   LATTICE,NONEQUIV.ATOMS   3  220 I-43d                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.068892 20.068892 20.068892 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.03000000 Y=0.37600000 Z=0.14900000
          MULT=24          ISPLIT= 8
      -1: X=0.62600000 Y=0.72000000 Z=0.10100000
      -1: X=0.03000000 Y=0.62400000 Z=0.35100000
      -1: X=0.14900000 Y=0.03000000 Z=0.37600000
      -1: X=0.97000000 Y=0.12400000 Z=0.14900000
      -1: X=0.87400000 Y=0.72000000 Z=0.89900000
      -1: X=0.28000000 Y=0.60100000 Z=0.87400000
      -1: X=0.87400000 Y=0.28000000 Z=0.60100000
      -1: X=0.97000000 Y=0.87600000 Z=0.35100000
      -1: X=0.85100000 Y=0.47000000 Z=0.37600000
      -1: X=0.62600000 Y=0.28000000 Z=0.39900000
      -1: X=0.22000000 Y=0.39900000 Z=0.37400000
      -1: X=0.14900000 Y=0.97000000 Z=0.12400000
      -1: X=0.22000000 Y=0.60100000 Z=0.12600000
      -1: X=0.85100000 Y=0.53000000 Z=0.12400000
      -1: X=0.28000000 Y=0.39900000 Z=0.62600000
      -1: X=0.10100000 Y=0.62600000 Z=0.72000000
      -1: X=0.37600000 Y=0.14900000 Z=0.03000000
      -1: X=0.39900000 Y=0.37400000 Z=0.22000000
      -1: X=0.62400000 Y=0.35100000 Z=0.03000000
      -1: X=0.10100000 Y=0.37400000 Z=0.78000000
      -1: X=0.62400000 Y=0.64900000 Z=0.47000000
      -1: X=0.39900000 Y=0.62600000 Z=0.28000000
      -1: X=0.37600000 Y=0.85100000 Z=0.47000000
Li         NPT=  781  R0=.000100000 RMT= 2.34        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
Al         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.20940000 Y=0.20940000 Z=0.20940000
          MULT= 8          ISPLIT= 4
      -3: X=0.45940000 Y=0.54060000 Z=0.04060000
      -3: X=0.20940000 Y=0.79060000 Z=0.29060000
      -3: X=0.79060000 Y=0.29060000 Z=0.20940000
      -3: X=0.04060000 Y=0.54060000 Z=0.95940000
      -3: X=0.04060000 Y=0.45940000 Z=0.54060000
      -3: X=0.79060000 Y=0.70940000 Z=0.29060000
      -3: X=0.45940000 Y=0.45940000 Z=0.45940000
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