B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3    
MODE OF CALC=RELA unit=bohr
 19.573783 19.573783 19.573783 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
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=0.28350000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT=15
      -2: X=0.71650000 Y=0.00000000 Z=0.75000000
      -2: X=0.71650000 Y=0.50000000 Z=0.25000000
      -2: X=0.28350000 Y=0.50000000 Z=0.75000000
      -2: X=0.25000000 Y=0.28350000 Z=0.00000000
      -2: X=0.75000000 Y=0.71650000 Z=0.00000000
      -2: X=0.75000000 Y=0.21650000 Z=0.00000000
      -2: X=0.25000000 Y=0.78350000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.28350000
      -2: X=0.00000000 Y=0.75000000 Z=0.71650000
      -2: X=0.00000000 Y=0.75000000 Z=0.21650000
      -2: X=0.00000000 Y=0.25000000 Z=0.78350000
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  -3: X=0.09740000 Y=0.35860000 Z=0.13020000
          MULT=24          ISPLIT=15
      -3: X=0.90260000 Y=0.64140000 Z=0.86980000
      -3: X=0.90260000 Y=0.14140000 Z=0.13020000
      -3: X=0.09740000 Y=0.85860000 Z=0.86980000
      -3: X=0.09740000 Y=0.64140000 Z=0.36980000
      -3: X=0.90260000 Y=0.35860000 Z=0.63020000
      -3: X=0.13020000 Y=0.09740000 Z=0.35860000
      -3: X=0.86980000 Y=0.90260000 Z=0.64140000
      -3: X=0.90260000 Y=0.85860000 Z=0.36980000
      -3: X=0.09740000 Y=0.14140000 Z=0.63020000
      -3: X=0.86980000 Y=0.40260000 Z=0.35860000
      -3: X=0.13020000 Y=0.59740000 Z=0.64140000
      -3: X=0.13020000 Y=0.90260000 Z=0.14140000
      -3: X=0.86980000 Y=0.09740000 Z=0.85860000
      -3: X=0.86980000 Y=0.59740000 Z=0.14140000
      -3: X=0.13020000 Y=0.40260000 Z=0.85860000
      -3: X=0.35860000 Y=0.13020000 Z=0.09740000
      -3: X=0.64140000 Y=0.86980000 Z=0.90260000
      -3: X=0.64140000 Y=0.36980000 Z=0.09740000
      -3: X=0.35860000 Y=0.63020000 Z=0.90260000
      -3: X=0.35860000 Y=0.86980000 Z=0.40260000
      -3: X=0.64140000 Y=0.13020000 Z=0.59740000
      -3: X=0.64140000 Y=0.63020000 Z=0.40260000
      -3: X=0.35860000 Y=0.36980000 Z=0.59740000
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