R   LATTICE,NONEQUIV.ATOMS   3  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.824233 16.824233 34.185146 90.000000 90.000000120.000000                   
ATOM  -1: X=0.53830000 Y=0.96170000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.46170000 Y=0.03830000 Z=0.75000000
      -1: X=0.96170000 Y=0.25000000 Z=0.53830000
      -1: X=0.03830000 Y=0.75000000 Z=0.46170000
      -1: X=0.25000000 Y=0.53830000 Z=0.96170000
      -1: X=0.75000000 Y=0.46170000 Z=0.03830000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.38        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  -3: X=0.13329000 Y=0.13329000 Z=0.13329000
          MULT= 4          ISPLIT= 4
      -3: X=0.86671000 Y=0.86671000 Z=0.86671000
      -3: X=0.63329000 Y=0.63329000 Z=0.63329000
      -3: X=0.36671000 Y=0.36671000 Z=0.36671000
Se         NPT=  781  R0=.000050000 RMT= 2.15        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000