P   LATTICE,NONEQUIV.ATOMS   3  223 Pm-3n                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.934506 14.934506 14.934506 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 2
       1: X=0.50000000 Y=0.50000000 Z=0.50000000
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=0.50000000
          MULT= 6          ISPLIT=-2
      -2: X=0.75000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.75000000 Z=0.00000000
      -2: X=0.50000000 Y=0.25000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
      -2: X=0.00000000 Y=0.50000000 Z=0.25000000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
ATOM  -3: X=0.00000000 Y=0.16500000 Z=0.30000000
          MULT=24          ISPLIT= 8
      -3: X=0.00000000 Y=0.83500000 Z=0.70000000
      -3: X=0.33500000 Y=0.50000000 Z=0.80000000
      -3: X=0.66500000 Y=0.50000000 Z=0.20000000
      -3: X=0.30000000 Y=0.00000000 Z=0.16500000
      -3: X=0.70000000 Y=0.00000000 Z=0.83500000
      -3: X=0.00000000 Y=0.83500000 Z=0.30000000
      -3: X=0.00000000 Y=0.16500000 Z=0.70000000
      -3: X=0.50000000 Y=0.80000000 Z=0.66500000
      -3: X=0.50000000 Y=0.20000000 Z=0.33500000
      -3: X=0.66500000 Y=0.50000000 Z=0.80000000
      -3: X=0.33500000 Y=0.50000000 Z=0.20000000
      -3: X=0.70000000 Y=0.00000000 Z=0.16500000
      -3: X=0.30000000 Y=0.00000000 Z=0.83500000
      -3: X=0.50000000 Y=0.20000000 Z=0.66500000
      -3: X=0.50000000 Y=0.80000000 Z=0.33500000
      -3: X=0.80000000 Y=0.33500000 Z=0.50000000
      -3: X=0.20000000 Y=0.66500000 Z=0.50000000
      -3: X=0.16500000 Y=0.30000000 Z=0.00000000
      -3: X=0.83500000 Y=0.70000000 Z=0.00000000
      -3: X=0.80000000 Y=0.66500000 Z=0.50000000
      -3: X=0.20000000 Y=0.33500000 Z=0.50000000
      -3: X=0.83500000 Y=0.30000000 Z=0.00000000
      -3: X=0.16500000 Y=0.70000000 Z=0.00000000
Zn         NPT=  781  R0=.000050000 RMT= 2.45        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000