R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.852028 12.852028 54.972133 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
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=0.78670000 Y=0.19541000 Z=0.78670000
          MULT= 6          ISPLIT= 8
      -2: X=0.21330000 Y=0.80459000 Z=0.21330000
      -2: X=0.19541000 Y=0.78670000 Z=0.78670000
      -2: X=0.80459000 Y=0.21330000 Z=0.21330000
      -2: X=0.78670000 Y=0.78670000 Z=0.19541000
      -2: X=0.21330000 Y=0.21330000 Z=0.80459000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.31520000 Y=0.31520000 Z=0.31520000
          MULT= 2          ISPLIT= 4
      -3: X=0.68480000 Y=0.68480000 Z=0.68480000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.18780000 Y=0.18780000 Z=0.18780000
          MULT= 2          ISPLIT= 4
      -4: X=0.81220000 Y=0.81220000 Z=0.81220000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.45070000 Y=0.45070000 Z=0.45070000
          MULT= 2          ISPLIT= 4
      -5: X=0.54930000 Y=0.54930000 Z=0.54930000
Sn         NPT=  781  R0=.000010000 RMT= 2.38        Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000