B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.064167 20.064167 20.064167 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
Y          NPT=  781  R0=.000010000 RMT= 2.22        Z:  39.00000              
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
Y          NPT=  781  R0=.000010000 RMT= 2.22        Z:  39.00000              
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=0.36000000 Z=0.12900000
          MULT=24          ISPLIT= 8
      -3: X=0.90600000 Y=0.64000000 Z=0.87100000
      -3: X=0.90600000 Y=0.14000000 Z=0.12900000
      -3: X=0.09400000 Y=0.86000000 Z=0.87100000
      -3: X=0.09400000 Y=0.64000000 Z=0.37100000
      -3: X=0.90600000 Y=0.36000000 Z=0.62900000
      -3: X=0.12900000 Y=0.09400000 Z=0.36000000
      -3: X=0.87100000 Y=0.90600000 Z=0.64000000
      -3: X=0.90600000 Y=0.86000000 Z=0.37100000
      -3: X=0.09400000 Y=0.14000000 Z=0.62900000
      -3: X=0.87100000 Y=0.40600000 Z=0.36000000
      -3: X=0.12900000 Y=0.59400000 Z=0.64000000
      -3: X=0.12900000 Y=0.90600000 Z=0.14000000
      -3: X=0.87100000 Y=0.09400000 Z=0.86000000
      -3: X=0.87100000 Y=0.59400000 Z=0.14000000
      -3: X=0.12900000 Y=0.40600000 Z=0.86000000
      -3: X=0.36000000 Y=0.12900000 Z=0.09400000
      -3: X=0.64000000 Y=0.87100000 Z=0.90600000
      -3: X=0.64000000 Y=0.37100000 Z=0.09400000
      -3: X=0.36000000 Y=0.62900000 Z=0.90600000
      -3: X=0.36000000 Y=0.87100000 Z=0.40600000
      -3: X=0.64000000 Y=0.12900000 Z=0.59400000
      -3: X=0.64000000 Y=0.62900000 Z=0.40600000
      -3: X=0.36000000 Y=0.37100000 Z=0.59400000
O          NPT=  781  R0=.000100000 RMT= 2.01        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000