B   LATTICE,NONEQUIV.ATOMS   4  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.011650 16.011650 16.011650 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -1: X=0.50000000 Y=0.75000000 Z=0.00000000
      -1: X=0.75000000 Y=0.50000000 Z=0.00000000
      -1: X=0.50000000 Y=0.25000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.75000000
      -1: X=0.00000000 Y=0.50000000 Z=0.25000000
P          NPT=  781  R0=.000100000 RMT= 1.50        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.14650000 Y=0.14650000 Z=0.42960000
          MULT=12          ISPLIT= 8
      -2: X=0.14650000 Y=0.85350000 Z=0.57040000
      -2: X=0.42960000 Y=0.14650000 Z=0.14650000
      -2: X=0.85350000 Y=0.85350000 Z=0.42960000
      -2: X=0.14650000 Y=0.57040000 Z=0.85350000
      -2: X=0.85350000 Y=0.14650000 Z=0.57040000
      -2: X=0.57040000 Y=0.85350000 Z=0.14650000
      -2: X=0.85350000 Y=0.42960000 Z=0.85350000
      -2: X=0.42960000 Y=0.85350000 Z=0.85350000
      -2: X=0.85350000 Y=0.57040000 Z=0.14650000
      -2: X=0.57040000 Y=0.14650000 Z=0.85350000
      -2: X=0.14650000 Y=0.42960000 Z=0.14650000
N          NPT=  781  R0=.000100000 RMT= 1.57        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.16680000 Y=0.16680000 Z=0.16680000
          MULT= 4          ISPLIT= 4
      -3: X=0.16680000 Y=0.83320000 Z=0.83320000
      -3: X=0.83320000 Y=0.83320000 Z=0.16680000
      -3: X=0.83320000 Y=0.16680000 Z=0.83320000
Cd         NPT=  781  R0=.000010000 RMT= 2.31        Z:  48.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM   4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
S          NPT=  781  R0=.000100000 RMT= 2.07        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000