B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a   
MODE OF CALC=RELA unit=bohr
 12.725416 12.725416 22.376247 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.75000000 Z=0.37500000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.25000000 Y=0.75000000 Z=0.75000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.25000000 Y=0.25000000 Z=0.25000000
Pd         NPT=  781  R0=.000010000 RMT=   2.00000   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=0.30330000 Y=0.10320000 Z=0.07420000
          MULT= 8          ISPLIT=15
      -3: X=0.69670000 Y=0.89680000 Z=0.92580000
      -3: X=0.14680000 Y=0.05330000 Z=0.82420000
      -3: X=0.35320000 Y=0.44670000 Z=0.67580000
      -3: X=0.69670000 Y=0.39680000 Z=0.07420000
      -3: X=0.30330000 Y=0.60320000 Z=0.92580000
      -3: X=0.35320000 Y=0.94670000 Z=0.32420000
      -3: X=0.14680000 Y=0.55330000 Z=0.17580000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000