B   LATTICE,NONEQUIV.ATOMS   3  220 I-43d                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.471403 20.471403 20.471403 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.20830000 Y=0.20830000 Z=0.20830000
          MULT= 8          ISPLIT= 4
      -1: X=0.45830000 Y=0.54170000 Z=0.04170000
      -1: X=0.20830000 Y=0.79170000 Z=0.29170000
      -1: X=0.79170000 Y=0.29170000 Z=0.20830000
      -1: X=0.04170000 Y=0.54170000 Z=0.95830000
      -1: X=0.04170000 Y=0.45830000 Z=0.54170000
      -1: X=0.79170000 Y=0.70830000 Z=0.29170000
      -1: X=0.45830000 Y=0.45830000 Z=0.45830000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
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
Li         NPT=  781  R0=.000100000 RMT= 2.00        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.04000000 Y=0.38000000 Z=0.16000000
          MULT=24          ISPLIT= 8
      -3: X=0.63000000 Y=0.71000000 Z=0.09000000
      -3: X=0.04000000 Y=0.62000000 Z=0.34000000
      -3: X=0.16000000 Y=0.04000000 Z=0.38000000
      -3: X=0.96000000 Y=0.12000000 Z=0.16000000
      -3: X=0.87000000 Y=0.71000000 Z=0.91000000
      -3: X=0.29000000 Y=0.59000000 Z=0.87000000
      -3: X=0.87000000 Y=0.29000000 Z=0.59000000
      -3: X=0.96000000 Y=0.88000000 Z=0.34000000
      -3: X=0.84000000 Y=0.46000000 Z=0.38000000
      -3: X=0.63000000 Y=0.29000000 Z=0.41000000
      -3: X=0.21000000 Y=0.41000000 Z=0.37000000
      -3: X=0.16000000 Y=0.96000000 Z=0.12000000
      -3: X=0.21000000 Y=0.59000000 Z=0.13000000
      -3: X=0.84000000 Y=0.54000000 Z=0.12000000
      -3: X=0.29000000 Y=0.41000000 Z=0.63000000
      -3: X=0.09000000 Y=0.63000000 Z=0.71000000
      -3: X=0.38000000 Y=0.16000000 Z=0.04000000
      -3: X=0.41000000 Y=0.37000000 Z=0.21000000
      -3: X=0.62000000 Y=0.34000000 Z=0.04000000
      -3: X=0.09000000 Y=0.37000000 Z=0.79000000
      -3: X=0.62000000 Y=0.66000000 Z=0.46000000
      -3: X=0.41000000 Y=0.63000000 Z=0.29000000
      -3: X=0.38000000 Y=0.84000000 Z=0.46000000
Li         NPT=  781  R0=.000100000 RMT= 2.00        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000