P   LATTICE,NONEQUIV.ATOMS   3  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.589356 12.589356 12.589356 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.36900000 Y=0.36900000 Z=0.36900000
          MULT= 4          ISPLIT= 4
      -1: X=0.13100000 Y=0.63100000 Z=0.86900000
      -1: X=0.86900000 Y=0.13100000 Z=0.63100000
      -1: X=0.63100000 Y=0.86900000 Z=0.13100000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.09000000 Y=0.09000000 Z=0.09000000
          MULT= 4          ISPLIT= 4
      -2: X=0.41000000 Y=0.91000000 Z=0.59000000
      -2: X=0.59000000 Y=0.41000000 Z=0.91000000
      -2: X=0.91000000 Y=0.59000000 Z=0.41000000
Pd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  46.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.66300000 Y=0.66300000 Z=0.66300000
          MULT= 4          ISPLIT= 4
      -3: X=0.83700000 Y=0.33700000 Z=0.16300000
      -3: X=0.16300000 Y=0.83700000 Z=0.33700000
      -3: X=0.33700000 Y=0.16300000 Z=0.83700000
Si         NPT=  781  R0=.000100000 RMT= 1.92        Z:  14.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503