B   LATTICE,NONEQUIV.ATOMS   3  139 I4/mmm  
MODE OF CALC=RELA unit=bohr
  7.942519  7.942519 18.876474 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.50000000 Z=0.75000000
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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.37500000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.00000000 Z=0.62500000
Si         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  14.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000