B   LATTICE,NONEQUIV.ATOMS   4  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 10.556010 10.556010 63.116853 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.31700000
          MULT= 8          ISPLIT= 8
      -1: X=0.00000000 Y=0.75000000 Z=0.68300000
      -1: X=0.00000000 Y=0.75000000 Z=0.56700000
      -1: X=0.50000000 Y=0.75000000 Z=0.93300000
      -1: X=0.00000000 Y=0.25000000 Z=0.81700000
      -1: X=0.00000000 Y=0.75000000 Z=0.18300000
      -1: X=0.00000000 Y=0.75000000 Z=0.06700000
      -1: X=0.50000000 Y=0.75000000 Z=0.43300000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.75000000
      -2: X=0.25000000 Y=0.00000000 Z=0.50000000
      -2: X=0.25000000 Y=0.50000000 Z=0.00000000
      -2: X=0.75000000 Y=0.50000000 Z=0.25000000
      -2: X=0.25000000 Y=0.50000000 Z=0.75000000
      -2: X=0.25000000 Y=0.00000000 Z=0.00000000
      -2: X=0.25000000 Y=0.50000000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.19000000 Y=0.44000000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -3: X=0.81000000 Y=0.56000000 Z=0.87500000
      -3: X=0.81000000 Y=0.94000000 Z=0.37500000
      -3: X=0.69000000 Y=0.56000000 Z=0.12500000
      -3: X=0.81000000 Y=0.44000000 Z=0.62500000
      -3: X=0.19000000 Y=0.56000000 Z=0.37500000
      -3: X=0.81000000 Y=0.06000000 Z=0.12500000
      -3: X=0.19000000 Y=0.94000000 Z=0.87500000
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  -4: X=0.00000000 Y=0.25000000 Z=0.05700000
          MULT= 8          ISPLIT= 8
      -4: X=0.00000000 Y=0.75000000 Z=0.94300000
      -4: X=0.00000000 Y=0.75000000 Z=0.30700000
      -4: X=0.50000000 Y=0.75000000 Z=0.19300000
      -4: X=0.00000000 Y=0.25000000 Z=0.55700000
      -4: X=0.00000000 Y=0.75000000 Z=0.44300000
      -4: X=0.00000000 Y=0.75000000 Z=0.80700000
      -4: X=0.50000000 Y=0.75000000 Z=0.69300000
Zn         NPT=  781  R0=.000050000 RMT= 2.49        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000