B   LATTICE,NONEQUIV.ATOMS   4  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.663794 16.663794 16.663794 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
Al         NPT=  781  R0=.000100000 RMT= 1.64        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.13970000 Y=0.13970000 Z=0.41250000
          MULT=12          ISPLIT= 8
      -2: X=0.13970000 Y=0.86030000 Z=0.58750000
      -2: X=0.41250000 Y=0.13970000 Z=0.13970000
      -2: X=0.86030000 Y=0.86030000 Z=0.41250000
      -2: X=0.13970000 Y=0.58750000 Z=0.86030000
      -2: X=0.86030000 Y=0.13970000 Z=0.58750000
      -2: X=0.58750000 Y=0.86030000 Z=0.13970000
      -2: X=0.86030000 Y=0.41250000 Z=0.86030000
      -2: X=0.41250000 Y=0.86030000 Z=0.86030000
      -2: X=0.86030000 Y=0.58750000 Z=0.13970000
      -2: X=0.58750000 Y=0.13970000 Z=0.86030000
      -2: X=0.13970000 Y=0.41250000 Z=0.13970000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.16600000 Y=0.16600000 Z=0.16600000
          MULT= 4          ISPLIT= 4
      -3: X=0.16600000 Y=0.83400000 Z=0.83400000
      -3: X=0.83400000 Y=0.83400000 Z=0.16600000
      -3: X=0.83400000 Y=0.16600000 Z=0.83400000
Cd         NPT=  781  R0=.000010000 RMT= 2.22        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= 2.14        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000