B   LATTICE,NONEQUIV.ATOMS   3  214 I4132                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.831121 18.831121 18.831121 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.36260000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -1: X=0.25000000 Y=0.11260000 Z=0.50000000
      -1: X=0.25000000 Y=0.36260000 Z=0.00000000
      -1: X=0.63740000 Y=0.50000000 Z=0.25000000
      -1: X=0.88740000 Y=0.00000000 Z=0.25000000
      -1: X=0.25000000 Y=0.88740000 Z=0.00000000
      -1: X=0.75000000 Y=0.13740000 Z=0.00000000
      -1: X=0.61260000 Y=0.00000000 Z=0.75000000
      -1: X=0.50000000 Y=0.25000000 Z=0.11260000
      -1: X=0.00000000 Y=0.25000000 Z=0.36260000
      -1: X=0.50000000 Y=0.75000000 Z=0.38740000
      -1: X=0.00000000 Y=0.75000000 Z=0.13740000
Ag         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  47.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 4          ISPLIT= 4
      -2: X=0.12500000 Y=0.87500000 Z=0.37500000
      -2: X=0.87500000 Y=0.37500000 Z=0.12500000
      -2: X=0.37500000 Y=0.12500000 Z=0.87500000
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  -3: X=0.27560000 Y=0.27560000 Z=0.27560000
          MULT= 8          ISPLIT= 4
      -3: X=0.97440000 Y=0.02560000 Z=0.52560000
      -3: X=0.27560000 Y=0.72440000 Z=0.22440000
      -3: X=0.72440000 Y=0.22440000 Z=0.27560000
      -3: X=0.52560000 Y=0.02560000 Z=0.47440000
      -3: X=0.52560000 Y=0.97440000 Z=0.02560000
      -3: X=0.72440000 Y=0.77560000 Z=0.22440000
      -3: X=0.97440000 Y=0.97440000 Z=0.97440000
Se         NPT=  781  R0=.000050000 RMT= 2.32        Z:  34.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503