B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3    
MODE OF CALC=RELA unit=bohr
 19.501974 19.501974 19.501974 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=0.28400000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT=15
      -2: X=0.71600000 Y=0.00000000 Z=0.75000000
      -2: X=0.71600000 Y=0.50000000 Z=0.25000000
      -2: X=0.28400000 Y=0.50000000 Z=0.75000000
      -2: X=0.25000000 Y=0.28400000 Z=0.00000000
      -2: X=0.75000000 Y=0.71600000 Z=0.00000000
      -2: X=0.75000000 Y=0.21600000 Z=0.00000000
      -2: X=0.25000000 Y=0.78400000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.28400000
      -2: X=0.00000000 Y=0.75000000 Z=0.71600000
      -2: X=0.00000000 Y=0.75000000 Z=0.21600000
      -2: X=0.00000000 Y=0.25000000 Z=0.78400000
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=0.09700000 Y=0.35900000 Z=0.13000000
          MULT=24          ISPLIT=15
      -3: X=0.90300000 Y=0.64100000 Z=0.87000000
      -3: X=0.90300000 Y=0.14100000 Z=0.13000000
      -3: X=0.09700000 Y=0.85900000 Z=0.87000000
      -3: X=0.09700000 Y=0.64100000 Z=0.37000000
      -3: X=0.90300000 Y=0.35900000 Z=0.63000000
      -3: X=0.13000000 Y=0.09700000 Z=0.35900000
      -3: X=0.87000000 Y=0.90300000 Z=0.64100000
      -3: X=0.90300000 Y=0.85900000 Z=0.37000000
      -3: X=0.09700000 Y=0.14100000 Z=0.63000000
      -3: X=0.87000000 Y=0.40300000 Z=0.35900000
      -3: X=0.13000000 Y=0.59700000 Z=0.64100000
      -3: X=0.13000000 Y=0.90300000 Z=0.14100000
      -3: X=0.87000000 Y=0.09700000 Z=0.85900000
      -3: X=0.87000000 Y=0.59700000 Z=0.14100000
      -3: X=0.13000000 Y=0.40300000 Z=0.85900000
      -3: X=0.35900000 Y=0.13000000 Z=0.09700000
      -3: X=0.64100000 Y=0.87000000 Z=0.90300000
      -3: X=0.64100000 Y=0.37000000 Z=0.09700000
      -3: X=0.35900000 Y=0.63000000 Z=0.90300000
      -3: X=0.35900000 Y=0.87000000 Z=0.40300000
      -3: X=0.64100000 Y=0.13000000 Z=0.59700000
      -3: X=0.64100000 Y=0.63000000 Z=0.40300000
      -3: X=0.35900000 Y=0.37000000 Z=0.59700000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000