P   LATTICE,NONEQUIV.ATOMS   2  138 P42/ncm                                    
MODE OF CALC=RELA unit=bohr                                                    
  8.118263  8.118263 22.952614 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.40        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=0.25000000 Y=0.25000000 Z=0.15700000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.75000000 Z=0.84300000
      -2: X=0.25000000 Y=0.25000000 Z=0.65700000
      -2: X=0.75000000 Y=0.75000000 Z=0.34300000
Br         NPT=  781  R0=.000050000 RMT= 2.18        Z:  35.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000