B   LATTICE,NONEQUIV.ATOMS   3  139 I4/mmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 18.778209 18.778209 10.996883 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14820000 Y=0.14820000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.85180000 Y=0.85180000 Z=0.00000000
      -1: X=0.85180000 Y=0.14820000 Z=0.00000000
      -1: X=0.14820000 Y=0.85180000 Z=0.00000000
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=0.18200000 Y=0.50000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.81800000 Y=0.50000000 Z=0.00000000
      -2: X=0.50000000 Y=0.18200000 Z=0.00000000
      -2: X=0.50000000 Y=0.81800000 Z=0.00000000
Rb         NPT=  781  R0=.000010000 RMT= 2.04        Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.37800000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.62200000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.37800000 Z=0.00000000
      -3: X=0.00000000 Y=0.62200000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 2.04        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000