R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.933286 12.933286 55.242364 90.000000 90.000000120.000000                   
ATOM  -1: X=0.78747000 Y=0.19537000 Z=0.78747000
          MULT= 6          ISPLIT= 8
      -1: X=0.21253000 Y=0.80463000 Z=0.21253000
      -1: X=0.19537000 Y=0.78747000 Z=0.78747000
      -1: X=0.80463000 Y=0.21253000 Z=0.21253000
      -1: X=0.78747000 Y=0.78747000 Z=0.19537000
      -1: X=0.21253000 Y=0.21253000 Z=0.80463000
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  -2: 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  -3: X=0.18684000 Y=0.18684000 Z=0.18684000
          MULT= 2          ISPLIT= 4
      -3: X=0.81316000 Y=0.81316000 Z=0.81316000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.31482000 Y=0.31482000 Z=0.31482000
          MULT= 2          ISPLIT= 4
      -4: X=0.68518000 Y=0.68518000 Z=0.68518000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.45008000 Y=0.45008000 Z=0.45008000
          MULT= 2          ISPLIT= 4
      -5: X=0.54992000 Y=0.54992000 Z=0.54992000
Sn         NPT=  781  R0=.000010000 RMT= 2.40        Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000