B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.463088 20.463088 20.463088 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
N          NPT=  781  R0=.000100000 RMT= 1.92        Z:   7.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.29700000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -2: X=0.70300000 Y=0.00000000 Z=0.75000000
      -2: X=0.70300000 Y=0.50000000 Z=0.25000000
      -2: X=0.29700000 Y=0.50000000 Z=0.75000000
      -2: X=0.25000000 Y=0.29700000 Z=0.00000000
      -2: X=0.75000000 Y=0.70300000 Z=0.00000000
      -2: X=0.75000000 Y=0.20300000 Z=0.00000000
      -2: X=0.25000000 Y=0.79700000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.29700000
      -2: X=0.00000000 Y=0.75000000 Z=0.70300000
      -2: X=0.00000000 Y=0.75000000 Z=0.20300000
      -2: X=0.00000000 Y=0.25000000 Z=0.79700000
N          NPT=  781  R0=.000100000 RMT= 1.92        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.09311000 Y=0.35438000 Z=0.12770000
          MULT=24          ISPLIT= 8
      -3: X=0.90689000 Y=0.64562000 Z=0.87230000
      -3: X=0.90689000 Y=0.14562000 Z=0.12770000
      -3: X=0.09311000 Y=0.85438000 Z=0.87230000
      -3: X=0.09311000 Y=0.64562000 Z=0.37230000
      -3: X=0.90689000 Y=0.35438000 Z=0.62770000
      -3: X=0.12770000 Y=0.09311000 Z=0.35438000
      -3: X=0.87230000 Y=0.90689000 Z=0.64562000
      -3: X=0.90689000 Y=0.85438000 Z=0.37230000
      -3: X=0.09311000 Y=0.14562000 Z=0.62770000
      -3: X=0.87230000 Y=0.40689000 Z=0.35438000
      -3: X=0.12770000 Y=0.59311000 Z=0.64562000
      -3: X=0.12770000 Y=0.90689000 Z=0.14562000
      -3: X=0.87230000 Y=0.09311000 Z=0.85438000
      -3: X=0.87230000 Y=0.59311000 Z=0.14562000
      -3: X=0.12770000 Y=0.40689000 Z=0.85438000
      -3: X=0.35438000 Y=0.12770000 Z=0.09311000
      -3: X=0.64562000 Y=0.87230000 Z=0.90689000
      -3: X=0.64562000 Y=0.37230000 Z=0.09311000
      -3: X=0.35438000 Y=0.62770000 Z=0.90689000
      -3: X=0.35438000 Y=0.87230000 Z=0.40689000
      -3: X=0.64562000 Y=0.12770000 Z=0.59311000
      -3: X=0.64562000 Y=0.62770000 Z=0.40689000
      -3: X=0.35438000 Y=0.37230000 Z=0.59311000
Cd         NPT=  781  R0=.000010000 RMT= 2.35        Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000