P   LATTICE,NONEQUIV.ATOMS   2  224 Pn-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.486425  9.486425  9.486425 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.30        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=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 2
       2: X=0.75000000 Y=0.75000000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.79        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000