B   LATTICE,NONEQUIV.ATOMS   3  214 I4132   
MODE OF CALC=RELA unit=bohr
 23.483627 23.483627 23.483627 90.000000 90.000000 90.000000
ATOM  -1: X=0.12500000 Y=0.11141000 Z=0.36141000
          MULT=12          ISPLIT=15
      -1: X=0.13859000 Y=0.87500000 Z=0.61141000
      -1: X=0.12500000 Y=0.88859000 Z=0.13859000
      -1: X=0.36141000 Y=0.12500000 Z=0.11141000
      -1: X=0.87500000 Y=0.38859000 Z=0.36141000
      -1: X=0.36141000 Y=0.87500000 Z=0.38859000
      -1: X=0.87500000 Y=0.61141000 Z=0.13859000
      -1: X=0.13859000 Y=0.12500000 Z=0.88859000
      -1: X=0.61141000 Y=0.13859000 Z=0.87500000
      -1: X=0.11141000 Y=0.36141000 Z=0.12500000
      -1: X=0.88859000 Y=0.86141000 Z=0.37500000
      -1: X=0.88859000 Y=0.13859000 Z=0.12500000
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=0.12500000 Y=0.60952000 Z=0.64048000
          MULT=12          ISPLIT=15
      -2: X=0.64048000 Y=0.87500000 Z=0.89048000
      -2: X=0.12500000 Y=0.39048000 Z=0.85952000
      -2: X=0.64048000 Y=0.12500000 Z=0.60952000
      -2: X=0.87500000 Y=0.89048000 Z=0.64048000
      -2: X=0.85952000 Y=0.87500000 Z=0.10952000
      -2: X=0.85952000 Y=0.12500000 Z=0.39048000
      -2: X=0.87500000 Y=0.10952000 Z=0.85952000
      -2: X=0.89048000 Y=0.64048000 Z=0.87500000
      -2: X=0.60952000 Y=0.64048000 Z=0.12500000
      -2: X=0.60952000 Y=0.35952000 Z=0.37500000
      -2: X=0.39048000 Y=0.85952000 Z=0.12500000
I          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  53.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 4          ISPLIT=15
      -3: X=0.12500000 Y=0.87500000 Z=0.37500000
      -3: X=0.87500000 Y=0.37500000 Z=0.12500000
      -3: X=0.37500000 Y=0.12500000 Z=0.87500000
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