B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a   
MODE OF CALC=RELA unit=bohr
  8.602033  8.602033 19.639924 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.75000000 Z=0.37500000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
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=0.25000000 Z=0.12500000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.75000000 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
ATOM  -3: X=0.16080000 Y=0.01650000 Z=0.16920000
          MULT= 8          ISPLIT=15
      -3: X=0.83920000 Y=0.98350000 Z=0.83080000
      -3: X=0.23350000 Y=0.91080000 Z=0.91920000
      -3: X=0.26650000 Y=0.58920000 Z=0.58080000
      -3: X=0.83920000 Y=0.48350000 Z=0.16920000
      -3: X=0.16080000 Y=0.51650000 Z=0.83080000
      -3: X=0.26650000 Y=0.08920000 Z=0.41920000
      -3: X=0.23350000 Y=0.41080000 Z=0.08080000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000