B   LATTICE,NONEQUIV.ATOMS   4  229 Im-3m   
MODE OF CALC=RELA unit=bohr
 18.286880 18.286880 18.286880 90.000000 90.000000 90.000000
ATOM  -1: X=0.30420000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -1: X=0.69580000 Y=0.00000000 Z=0.00000000
      -1: X=0.00000000 Y=0.30420000 Z=0.00000000
      -1: X=0.00000000 Y=0.69580000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.30420000
      -1: X=0.00000000 Y=0.00000000 Z=0.69580000
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=0.00000000 Y=0.32976000 Z=0.32976000
          MULT=12          ISPLIT=15
      -2: X=0.00000000 Y=0.67024000 Z=0.67024000
      -2: X=0.67024000 Y=0.00000000 Z=0.32976000
      -2: X=0.32976000 Y=0.00000000 Z=0.67024000
      -2: X=0.32976000 Y=0.00000000 Z=0.32976000
      -2: X=0.67024000 Y=0.00000000 Z=0.67024000
      -2: X=0.00000000 Y=0.67024000 Z=0.32976000
      -2: X=0.00000000 Y=0.32976000 Z=0.67024000
      -2: X=0.32976000 Y=0.67024000 Z=0.00000000
      -2: X=0.67024000 Y=0.32976000 Z=0.00000000
      -2: X=0.32976000 Y=0.32976000 Z=0.00000000
      -2: X=0.67024000 Y=0.67024000 Z=0.00000000
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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
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  -4: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -4: X=0.75000000 Y=0.25000000 Z=0.25000000
      -4: X=0.75000000 Y=0.75000000 Z=0.25000000
      -4: X=0.25000000 Y=0.75000000 Z=0.25000000
Zn         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  30.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000