B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.105131 19.105131 19.105131 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -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
In         NPT=  781  R0=.000010000 RMT= 2.15        Z:  49.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.28400000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -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
In         NPT=  781  R0=.000010000 RMT= 2.15        Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.09400000 Y=0.35900000 Z=0.13000000
          MULT=24          ISPLIT= 8
      -3: X=0.90600000 Y=0.64100000 Z=0.87000000
      -3: X=0.90600000 Y=0.14100000 Z=0.13000000
      -3: X=0.09400000 Y=0.85900000 Z=0.87000000
      -3: X=0.09400000 Y=0.64100000 Z=0.37000000
      -3: X=0.90600000 Y=0.35900000 Z=0.63000000
      -3: X=0.13000000 Y=0.09400000 Z=0.35900000
      -3: X=0.87000000 Y=0.90600000 Z=0.64100000
      -3: X=0.90600000 Y=0.85900000 Z=0.37000000
      -3: X=0.09400000 Y=0.14100000 Z=0.63000000
      -3: X=0.87000000 Y=0.40600000 Z=0.35900000
      -3: X=0.13000000 Y=0.59400000 Z=0.64100000
      -3: X=0.13000000 Y=0.90600000 Z=0.14100000
      -3: X=0.87000000 Y=0.09400000 Z=0.85900000
      -3: X=0.87000000 Y=0.59400000 Z=0.14100000
      -3: X=0.13000000 Y=0.40600000 Z=0.85900000
      -3: X=0.35900000 Y=0.13000000 Z=0.09400000
      -3: X=0.64100000 Y=0.87000000 Z=0.90600000
      -3: X=0.64100000 Y=0.37000000 Z=0.09400000
      -3: X=0.35900000 Y=0.63000000 Z=0.90600000
      -3: X=0.35900000 Y=0.87000000 Z=0.40600000
      -3: X=0.64100000 Y=0.13000000 Z=0.59400000
      -3: X=0.64100000 Y=0.63000000 Z=0.40600000
      -3: X=0.35900000 Y=0.37000000 Z=0.59400000
O          NPT=  781  R0=.000100000 RMT= 1.85        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000