B   LATTICE,NONEQUIV.ATOMS   2  220 I-43d   
MODE OF CALC=RELA unit=bohr
 16.108026 16.108026 16.108026 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
Pa         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  91.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08300000 Y=0.08300000 Z=0.08300000
          MULT= 8          ISPLIT=15
      -2: X=0.33300000 Y=0.66700000 Z=0.16700000
      -2: X=0.08300000 Y=0.91700000 Z=0.41700000
      -2: X=0.91700000 Y=0.41700000 Z=0.08300000
      -2: X=0.16700000 Y=0.66700000 Z=0.83300000
      -2: X=0.16700000 Y=0.33300000 Z=0.66700000
      -2: X=0.91700000 Y=0.58300000 Z=0.41700000
      -2: X=0.33300000 Y=0.33300000 Z=0.33300000
As         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  33.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000