B   LATTICE,NONEQUIV.ATOMS   3  220 I-43d   
MODE OF CALC=RELA unit=bohr
 18.564670 18.564670 18.564670 90.000000 90.000000 90.000000
ATOM  -1: X=0.37500000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -1: X=0.25000000 Y=0.37500000 Z=0.00000000
      -1: X=0.62500000 Y=0.50000000 Z=0.25000000
      -1: X=0.25000000 Y=0.62500000 Z=0.50000000
      -1: X=0.00000000 Y=0.25000000 Z=0.37500000
      -1: X=0.00000000 Y=0.75000000 Z=0.12500000
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=0.87500000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -2: X=0.25000000 Y=0.87500000 Z=0.00000000
      -2: X=0.12500000 Y=0.50000000 Z=0.25000000
      -2: X=0.25000000 Y=0.12500000 Z=0.50000000
      -2: X=0.00000000 Y=0.25000000 Z=0.87500000
      -2: X=0.00000000 Y=0.75000000 Z=0.62500000
Au         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  79.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.08500000 Y=0.08500000 Z=0.08500000
          MULT= 8          ISPLIT=15
      -3: X=0.33500000 Y=0.66500000 Z=0.16500000
      -3: X=0.08500000 Y=0.91500000 Z=0.41500000
      -3: X=0.91500000 Y=0.41500000 Z=0.08500000
      -3: X=0.16500000 Y=0.66500000 Z=0.83500000
      -3: X=0.16500000 Y=0.33500000 Z=0.66500000
      -3: X=0.91500000 Y=0.58500000 Z=0.41500000
      -3: X=0.33500000 Y=0.33500000 Z=0.33500000
Sn         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  50.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000