P   LATTICE,NONEQUIV.ATOMS   3  213 P4132                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.883586 12.883586 12.883586 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.06110000 Y=0.06110000 Z=0.06110000
          MULT= 8          ISPLIT= 4
      -1: X=0.18890000 Y=0.81110000 Z=0.31110000
      -1: X=0.56110000 Y=0.43890000 Z=0.93890000
      -1: X=0.43890000 Y=0.93890000 Z=0.56110000
      -1: X=0.81110000 Y=0.31110000 Z=0.18890000
      -1: X=0.31110000 Y=0.18890000 Z=0.81110000
      -1: X=0.93890000 Y=0.56110000 Z=0.43890000
      -1: X=0.68890000 Y=0.68890000 Z=0.68890000
Pd         NPT=  781  R0=.000010000 RMT= 2.41        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  -2: X=0.12500000 Y=0.20258000 Z=0.45258000
          MULT=12          ISPLIT= 8
      -2: X=0.04742000 Y=0.87500000 Z=0.70258000
      -2: X=0.62500000 Y=0.29742000 Z=0.54742000
      -2: X=0.45258000 Y=0.12500000 Z=0.20258000
      -2: X=0.37500000 Y=0.79742000 Z=0.95258000
      -2: X=0.95258000 Y=0.37500000 Z=0.79742000
      -2: X=0.87500000 Y=0.70258000 Z=0.04742000
      -2: X=0.54742000 Y=0.62500000 Z=0.29742000
      -2: X=0.70258000 Y=0.04742000 Z=0.87500000
      -2: X=0.20258000 Y=0.45258000 Z=0.12500000
      -2: X=0.79742000 Y=0.95258000 Z=0.37500000
      -2: X=0.29742000 Y=0.54742000 Z=0.62500000
Mo         NPT=  781  R0=.000010000 RMT= 2.16        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
ATOM  -3: X=0.37500000 Y=0.37500000 Z=0.37500000
          MULT= 4          ISPLIT= 4
      -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=0.87500000 Z=0.12500000
N          NPT=  781  R0=.000100000 RMT= 1.86        Z:   7.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503