B   LATTICE,NONEQUIV.ATOMS   4  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.893482 18.893482 18.893482 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.32800000 Y=0.32800000 Z=0.32800000
          MULT= 4          ISPLIT= 4
      -1: X=0.32800000 Y=0.67200000 Z=0.67200000
      -1: X=0.67200000 Y=0.67200000 Z=0.32800000
      -1: X=0.67200000 Y=0.32800000 Z=0.67200000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -2: X=0.35600000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -2: X=0.00000000 Y=0.64400000 Z=0.00000000
      -2: X=0.00000000 Y=0.35600000 Z=0.00000000
      -2: X=0.64400000 Y=0.00000000 Z=0.00000000
      -2: X=0.00000000 Y=0.00000000 Z=0.64400000
      -2: X=0.00000000 Y=0.00000000 Z=0.35600000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
ATOM  -3: X=0.10900000 Y=0.10900000 Z=0.10900000
          MULT= 4          ISPLIT= 4
      -3: X=0.10900000 Y=0.89100000 Z=0.89100000
      -3: X=0.89100000 Y=0.89100000 Z=0.10900000
      -3: X=0.89100000 Y=0.10900000 Z=0.89100000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.31300000 Y=0.31300000 Z=0.03700000
          MULT=12          ISPLIT= 8
      -4: X=0.31300000 Y=0.68700000 Z=0.96300000
      -4: X=0.03700000 Y=0.31300000 Z=0.31300000
      -4: X=0.68700000 Y=0.68700000 Z=0.03700000
      -4: X=0.31300000 Y=0.96300000 Z=0.68700000
      -4: X=0.68700000 Y=0.31300000 Z=0.96300000
      -4: X=0.96300000 Y=0.68700000 Z=0.31300000
      -4: X=0.68700000 Y=0.03700000 Z=0.68700000
      -4: X=0.03700000 Y=0.68700000 Z=0.68700000
      -4: X=0.68700000 Y=0.96300000 Z=0.31300000
      -4: X=0.96300000 Y=0.31300000 Z=0.68700000
      -4: X=0.31300000 Y=0.03700000 Z=0.31300000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000