B   LATTICE,NONEQUIV.ATOMS   3  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 16.695541 16.695541 15.634838 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.65197000 Y=0.15197000 Z=0.16553000
          MULT= 8          ISPLIT= 8
      -1: X=0.34803000 Y=0.84803000 Z=0.83447000
      -1: X=0.84803000 Y=0.65197000 Z=0.16553000
      -1: X=0.15197000 Y=0.34803000 Z=0.83447000
      -1: X=0.34803000 Y=0.84803000 Z=0.16553000
      -1: X=0.65197000 Y=0.15197000 Z=0.83447000
      -1: X=0.15197000 Y=0.34803000 Z=0.16553000
      -1: X=0.84803000 Y=0.65197000 Z=0.83447000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.14100000 Y=0.64100000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.85900000 Y=0.35900000 Z=0.00000000
      -2: X=0.35900000 Y=0.14100000 Z=0.00000000
      -2: X=0.64100000 Y=0.85900000 Z=0.00000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000