H   LATTICE,NONEQUIV.ATOMS   4  163 P-31c                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.395907  9.395907 17.272097 90.000000 90.000000120.000000                   
ATOM  -1: X=0.66666667 Y=0.33333333 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.33333333 Y=0.66666667 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 1.63        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Pd         NPT=  781  R0=.000010000 RMT= 2.16        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 1.66        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.02710000 Y=0.37090000 Z=0.13910000
          MULT=12          ISPLIT= 8
      -4: X=0.97290000 Y=0.62910000 Z=0.86090000
      -4: X=0.62910000 Y=0.65620000 Z=0.13910000
      -4: X=0.37090000 Y=0.34380000 Z=0.86090000
      -4: X=0.37090000 Y=0.02710000 Z=0.63910000
      -4: X=0.62910000 Y=0.97290000 Z=0.36090000
      -4: X=0.34380000 Y=0.97290000 Z=0.13910000
      -4: X=0.65620000 Y=0.02710000 Z=0.86090000
      -4: X=0.97290000 Y=0.34380000 Z=0.63910000
      -4: X=0.02710000 Y=0.65620000 Z=0.36090000
      -4: X=0.65620000 Y=0.62910000 Z=0.63910000
      -4: X=0.34380000 Y=0.37090000 Z=0.36090000
F          NPT=  781  R0=.000100000 RMT= 1.74        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000