B   LATTICE,NONEQUIV.ATOMS   5  217 I-43m   
MODE OF CALC=RELA unit=bohr
 19.673939 19.673939 19.673939 90.000000 90.000000 90.000000
ATOM  -1: X=0.28997000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -1: X=0.00000000 Y=0.71003000 Z=0.00000000
      -1: X=0.00000000 Y=0.28997000 Z=0.00000000
      -1: X=0.71003000 Y=0.00000000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.71003000
      -1: X=0.00000000 Y=0.00000000 Z=0.28997000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -2: X=0.50000000 Y=0.75000000 Z=0.00000000
      -2: X=0.75000000 Y=0.50000000 Z=0.00000000
      -2: X=0.50000000 Y=0.25000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
      -2: X=0.00000000 Y=0.50000000 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=0.20148000 Y=0.20148000 Z=0.43226000
          MULT=12          ISPLIT=15
      -3: X=0.20148000 Y=0.79852000 Z=0.56774000
      -3: X=0.43226000 Y=0.20148000 Z=0.20148000
      -3: X=0.79852000 Y=0.79852000 Z=0.43226000
      -3: X=0.20148000 Y=0.56774000 Z=0.79852000
      -3: X=0.79852000 Y=0.20148000 Z=0.56774000
      -3: X=0.56774000 Y=0.79852000 Z=0.20148000
      -3: X=0.79852000 Y=0.43226000 Z=0.79852000
      -3: X=0.43226000 Y=0.79852000 Z=0.79852000
      -3: X=0.79852000 Y=0.56774000 Z=0.20148000
      -3: X=0.56774000 Y=0.20148000 Z=0.79852000
      -3: X=0.20148000 Y=0.43226000 Z=0.20148000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.21483000 Y=0.21483000 Z=0.21483000
          MULT= 4          ISPLIT=15
      -4: X=0.21483000 Y=0.78517000 Z=0.78517000
      -4: X=0.78517000 Y=0.78517000 Z=0.21483000
      -4: X=0.78517000 Y=0.21483000 Z=0.78517000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000