B   LATTICE,NONEQUIV.ATOMS   4  217 I-43m   
MODE OF CALC=RELA unit=bohr
 18.103576 18.103576 18.103576 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Al         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  13.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.31700000 Y=0.31700000 Z=0.31700000
          MULT= 4          ISPLIT=15
      -2: X=0.31700000 Y=0.68300000 Z=0.68300000
      -2: X=0.68300000 Y=0.68300000 Z=0.31700000
      -2: X=0.68300000 Y=0.31700000 Z=0.68300000
Al         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  13.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.35600000 Y=0.35600000 Z=0.04200000
          MULT=12          ISPLIT=15
      -3: X=0.35600000 Y=0.64400000 Z=0.95800000
      -3: X=0.04200000 Y=0.35600000 Z=0.35600000
      -3: X=0.64400000 Y=0.64400000 Z=0.04200000
      -3: X=0.35600000 Y=0.95800000 Z=0.64400000
      -3: X=0.64400000 Y=0.35600000 Z=0.95800000
      -3: X=0.95800000 Y=0.64400000 Z=0.35600000
      -3: X=0.64400000 Y=0.04200000 Z=0.64400000
      -3: X=0.04200000 Y=0.64400000 Z=0.64400000
      -3: X=0.64400000 Y=0.95800000 Z=0.35600000
      -3: X=0.95800000 Y=0.35600000 Z=0.64400000
      -3: X=0.35600000 Y=0.04200000 Z=0.35600000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.08900000 Y=0.08900000 Z=0.27800000
          MULT=12          ISPLIT=15
      -4: X=0.08900000 Y=0.91100000 Z=0.72200000
      -4: X=0.27800000 Y=0.08900000 Z=0.08900000
      -4: X=0.91100000 Y=0.91100000 Z=0.27800000
      -4: X=0.08900000 Y=0.72200000 Z=0.91100000
      -4: X=0.91100000 Y=0.08900000 Z=0.72200000
      -4: X=0.72200000 Y=0.91100000 Z=0.08900000
      -4: X=0.91100000 Y=0.27800000 Z=0.91100000
      -4: X=0.27800000 Y=0.91100000 Z=0.91100000
      -4: X=0.91100000 Y=0.72200000 Z=0.08900000
      -4: X=0.72200000 Y=0.08900000 Z=0.91100000
      -4: X=0.08900000 Y=0.27800000 Z=0.08900000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000