B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.678053 18.678053 18.678053 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
Sc         NPT=  781  R0=.000050000 RMT= 2.04        Z:  21.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.28513000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -2: X=0.71487000 Y=0.00000000 Z=0.75000000
      -2: X=0.71487000 Y=0.50000000 Z=0.25000000
      -2: X=0.28513000 Y=0.50000000 Z=0.75000000
      -2: X=0.25000000 Y=0.28513000 Z=0.00000000
      -2: X=0.75000000 Y=0.71487000 Z=0.00000000
      -2: X=0.75000000 Y=0.21487000 Z=0.00000000
      -2: X=0.25000000 Y=0.78513000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.28513000
      -2: X=0.00000000 Y=0.75000000 Z=0.71487000
      -2: X=0.00000000 Y=0.75000000 Z=0.21487000
      -2: X=0.00000000 Y=0.25000000 Z=0.78513000
Sc         NPT=  781  R0=.000050000 RMT= 2.04        Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.09160000 Y=0.36230000 Z=0.13390000
          MULT=24          ISPLIT= 8
      -3: X=0.90840000 Y=0.63770000 Z=0.86610000
      -3: X=0.90840000 Y=0.13770000 Z=0.13390000
      -3: X=0.09160000 Y=0.86230000 Z=0.86610000
      -3: X=0.09160000 Y=0.63770000 Z=0.36610000
      -3: X=0.90840000 Y=0.36230000 Z=0.63390000
      -3: X=0.13390000 Y=0.09160000 Z=0.36230000
      -3: X=0.86610000 Y=0.90840000 Z=0.63770000
      -3: X=0.90840000 Y=0.86230000 Z=0.36610000
      -3: X=0.09160000 Y=0.13770000 Z=0.63390000
      -3: X=0.86610000 Y=0.40840000 Z=0.36230000
      -3: X=0.13390000 Y=0.59160000 Z=0.63770000
      -3: X=0.13390000 Y=0.90840000 Z=0.13770000
      -3: X=0.86610000 Y=0.09160000 Z=0.86230000
      -3: X=0.86610000 Y=0.59160000 Z=0.13770000
      -3: X=0.13390000 Y=0.40840000 Z=0.86230000
      -3: X=0.36230000 Y=0.13390000 Z=0.09160000
      -3: X=0.63770000 Y=0.86610000 Z=0.90840000
      -3: X=0.63770000 Y=0.36610000 Z=0.09160000
      -3: X=0.36230000 Y=0.63390000 Z=0.90840000
      -3: X=0.36230000 Y=0.86610000 Z=0.40840000
      -3: X=0.63770000 Y=0.13390000 Z=0.59160000
      -3: X=0.63770000 Y=0.63390000 Z=0.40840000
      -3: X=0.36230000 Y=0.36610000 Z=0.59160000
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