B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3    
MODE OF CALC=RELA unit=bohr
 20.178496 20.178496 20.178496 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
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.26800000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT=15
      -2: X=0.73200000 Y=0.00000000 Z=0.75000000
      -2: X=0.73200000 Y=0.50000000 Z=0.25000000
      -2: X=0.26800000 Y=0.50000000 Z=0.75000000
      -2: X=0.25000000 Y=0.26800000 Z=0.00000000
      -2: X=0.75000000 Y=0.73200000 Z=0.00000000
      -2: X=0.75000000 Y=0.23200000 Z=0.00000000
      -2: X=0.25000000 Y=0.76800000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.26800000
      -2: X=0.00000000 Y=0.75000000 Z=0.73200000
      -2: X=0.00000000 Y=0.75000000 Z=0.23200000
      -2: X=0.00000000 Y=0.25000000 Z=0.76800000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.08300000 Y=0.37000000 Z=0.14800000
          MULT=24          ISPLIT=15
      -3: X=0.91700000 Y=0.63000000 Z=0.85200000
      -3: X=0.91700000 Y=0.13000000 Z=0.14800000
      -3: X=0.08300000 Y=0.87000000 Z=0.85200000
      -3: X=0.08300000 Y=0.63000000 Z=0.35200000
      -3: X=0.91700000 Y=0.37000000 Z=0.64800000
      -3: X=0.14800000 Y=0.08300000 Z=0.37000000
      -3: X=0.85200000 Y=0.91700000 Z=0.63000000
      -3: X=0.91700000 Y=0.87000000 Z=0.35200000
      -3: X=0.08300000 Y=0.13000000 Z=0.64800000
      -3: X=0.85200000 Y=0.41700000 Z=0.37000000
      -3: X=0.14800000 Y=0.58300000 Z=0.63000000
      -3: X=0.14800000 Y=0.91700000 Z=0.13000000
      -3: X=0.85200000 Y=0.08300000 Z=0.87000000
      -3: X=0.85200000 Y=0.58300000 Z=0.13000000
      -3: X=0.14800000 Y=0.41700000 Z=0.87000000
      -3: X=0.37000000 Y=0.14800000 Z=0.08300000
      -3: X=0.63000000 Y=0.85200000 Z=0.91700000
      -3: X=0.63000000 Y=0.35200000 Z=0.08300000
      -3: X=0.37000000 Y=0.64800000 Z=0.91700000
      -3: X=0.37000000 Y=0.85200000 Z=0.41700000
      -3: X=0.63000000 Y=0.14800000 Z=0.58300000
      -3: X=0.63000000 Y=0.64800000 Z=0.41700000
      -3: X=0.37000000 Y=0.35200000 Z=0.58300000
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