R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.554044 17.554044 21.186851 90.000000 90.000000120.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.75000000 Y=0.75000000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.20        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.61870000 Y=0.88130000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.38130000 Y=0.11870000 Z=0.75000000
      -2: X=0.88130000 Y=0.25000000 Z=0.61870000
      -2: X=0.11870000 Y=0.75000000 Z=0.38130000
      -2: X=0.25000000 Y=0.61870000 Z=0.88130000
      -2: X=0.75000000 Y=0.38130000 Z=0.11870000
Ca         NPT=  781  R0=.000050000 RMT= 2.20        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
Pd         NPT=  781  R0=.000010000 RMT= 2.08        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  -4: X=0.30130000 Y=0.94130000 Z=0.07330000
          MULT=12          ISPLIT= 8
      -4: X=0.69870000 Y=0.05870000 Z=0.92670000
      -4: X=0.94130000 Y=0.07330000 Z=0.30130000
      -4: X=0.05870000 Y=0.92670000 Z=0.69870000
      -4: X=0.80130000 Y=0.57330000 Z=0.44130000
      -4: X=0.19870000 Y=0.42670000 Z=0.55870000
      -4: X=0.07330000 Y=0.30130000 Z=0.94130000
      -4: X=0.92670000 Y=0.69870000 Z=0.05870000
      -4: X=0.57330000 Y=0.44130000 Z=0.80130000
      -4: X=0.42670000 Y=0.55870000 Z=0.19870000
      -4: X=0.44130000 Y=0.80130000 Z=0.57330000
      -4: X=0.55870000 Y=0.19870000 Z=0.42670000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000