R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 25.746007 25.746007 12.048699 90.000000 90.000000120.000000                   
ATOM  -1: X=0.08479000 Y=0.20330000 Z=0.73255000
          MULT= 6          ISPLIT= 8
      -1: X=0.91521000 Y=0.79670000 Z=0.26745000
      -1: X=0.20330000 Y=0.73255000 Z=0.08479000
      -1: X=0.79670000 Y=0.26745000 Z=0.91521000
      -1: X=0.73255000 Y=0.08479000 Z=0.20330000
      -1: X=0.26745000 Y=0.91521000 Z=0.79670000
Au         NPT=  781  R0=.000005000 RMT= 2.06        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=0.37170000 Y=0.41651000 Z=0.12220000
          MULT= 6          ISPLIT= 8
      -2: X=0.62830000 Y=0.58349000 Z=0.87780000
      -2: X=0.41651000 Y=0.12220000 Z=0.37170000
      -2: X=0.58349000 Y=0.87780000 Z=0.62830000
      -2: X=0.12220000 Y=0.37170000 Z=0.41651000
      -2: X=0.87780000 Y=0.62830000 Z=0.58349000
Cl         NPT=  781  R0=.000100000 RMT= 1.90        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.36820000 Y=0.80509000 Z=0.96510000
          MULT= 6          ISPLIT= 8
      -3: X=0.63180000 Y=0.19491000 Z=0.03490000
      -3: X=0.80509000 Y=0.96510000 Z=0.36820000
      -3: X=0.19491000 Y=0.03490000 Z=0.63180000
      -3: X=0.96510000 Y=0.36820000 Z=0.80509000
      -3: X=0.03490000 Y=0.63180000 Z=0.19491000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000