P   LATTICE,NONEQUIV.ATOMS   3  212 P4332                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.752817 12.752817 12.752817 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.05750000 Y=0.05750000 Z=0.05750000
          MULT= 8          ISPLIT= 4
      -1: X=0.69250000 Y=0.30750000 Z=0.80750000
      -1: X=0.55750000 Y=0.44250000 Z=0.94250000
      -1: X=0.44250000 Y=0.94250000 Z=0.55750000
      -1: X=0.30750000 Y=0.80750000 Z=0.69250000
      -1: X=0.80750000 Y=0.69250000 Z=0.30750000
      -1: X=0.94250000 Y=0.55750000 Z=0.44250000
      -1: X=0.19250000 Y=0.19250000 Z=0.19250000
Li         NPT=  781  R0=.000100000 RMT= 1.37        Z:   3.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.12500000 Y=0.19480000 Z=0.44480000
          MULT=24          ISPLIT= 8
      -2: X=0.55520000 Y=0.37500000 Z=0.19480000
      -2: X=0.62500000 Y=0.30520000 Z=0.55520000
      -2: X=0.44480000 Y=0.12500000 Z=0.19480000
      -2: X=0.37500000 Y=0.80520000 Z=0.94480000
      -2: X=0.44480000 Y=0.87500000 Z=0.30520000
      -2: X=0.62500000 Y=0.69480000 Z=0.94480000
      -2: X=0.94480000 Y=0.62500000 Z=0.69480000
      -2: X=0.87500000 Y=0.69480000 Z=0.05520000
      -2: X=0.05520000 Y=0.87500000 Z=0.69480000
      -2: X=0.05520000 Y=0.12500000 Z=0.80520000
      -2: X=0.87500000 Y=0.30520000 Z=0.44480000
      -2: X=0.94480000 Y=0.37500000 Z=0.80520000
      -2: X=0.37500000 Y=0.19480000 Z=0.55520000
      -2: X=0.55520000 Y=0.62500000 Z=0.30520000
      -2: X=0.12500000 Y=0.80520000 Z=0.05520000
      -2: X=0.19480000 Y=0.55520000 Z=0.37500000
      -2: X=0.19480000 Y=0.44480000 Z=0.12500000
      -2: X=0.30520000 Y=0.44480000 Z=0.87500000
      -2: X=0.30520000 Y=0.55520000 Z=0.62500000
      -2: X=0.69480000 Y=0.94480000 Z=0.62500000
      -2: X=0.80520000 Y=0.94480000 Z=0.37500000
      -2: X=0.80520000 Y=0.05520000 Z=0.12500000
      -2: X=0.69480000 Y=0.05520000 Z=0.87500000
Pd         NPT=  781  R0=.000010000 RMT= 1.73        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=0.37500000 Y=0.37500000 Z=0.37500000
          MULT= 8          ISPLIT= 4
      -3: X=0.37500000 Y=0.62500000 Z=0.12500000
      -3: X=0.87500000 Y=0.12500000 Z=0.62500000
      -3: X=0.12500000 Y=0.62500000 Z=0.87500000
      -3: X=0.62500000 Y=0.12500000 Z=0.37500000
      -3: X=0.12500000 Y=0.37500000 Z=0.62500000
      -3: X=0.62500000 Y=0.87500000 Z=0.12500000
      -3: X=0.87500000 Y=0.87500000 Z=0.87500000
B          NPT=  781  R0=.000100000 RMT= 1.37        Z:   5.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503