B   LATTICE,NONEQUIV.ATOMS   5   72 Ibam                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.177060 19.970626 27.760077 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.13850000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.86150000
      -1: X=0.00000000 Y=0.00000000 Z=0.63850000
      -1: X=0.00000000 Y=0.00000000 Z=0.36150000
Au         NPT=  781  R0=.000005000 RMT= 2.44        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.25000000 Y=0.25000000 Z=0.75000000
      -2: X=0.75000000 Y=0.25000000 Z=0.75000000
      -2: X=0.75000000 Y=0.25000000 Z=0.25000000
Au         NPT=  781  R0=.000005000 RMT= 2.44        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.75000000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16000000 Y=0.35000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.84000000 Y=0.65000000 Z=0.00000000
      -4: X=0.84000000 Y=0.35000000 Z=0.50000000
      -4: X=0.16000000 Y=0.65000000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.28500000 Y=0.11000000 Z=0.12930000
          MULT= 8          ISPLIT= 8
      -5: X=0.71500000 Y=0.89000000 Z=0.87070000
      -5: X=0.28500000 Y=0.11000000 Z=0.87070000
      -5: X=0.71500000 Y=0.89000000 Z=0.12930000
      -5: X=0.71500000 Y=0.11000000 Z=0.62930000
      -5: X=0.28500000 Y=0.89000000 Z=0.37070000
      -5: X=0.71500000 Y=0.11000000 Z=0.37070000
      -5: X=0.28500000 Y=0.89000000 Z=0.62930000
S          NPT=  781  R0=.000100000 RMT= 1.90        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000