R   LATTICE,NONEQUIV.ATOMS   3  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.651598 18.651598 13.405715 90.000000 90.000000120.000000                   
ATOM  -1: X=0.79480000 Y=0.41039000 Z=0.79480000
          MULT= 3          ISPLIT= 8
      -1: X=0.41039000 Y=0.79480000 Z=0.79480000
      -1: X=0.79480000 Y=0.79480000 Z=0.41039000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.25500000 Y=0.25500000 Z=0.25500000
          MULT= 1          ISPLIT= 4
As         NPT=  781  R0=.000050000 RMT= 2.07        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.34680000 Y=0.96241000 Z=0.34680000
          MULT= 3          ISPLIT= 8
      -3: X=0.96241000 Y=0.34680000 Z=0.34680000
      -3: X=0.34680000 Y=0.34680000 Z=0.96241000
Se         NPT=  781  R0=.000050000 RMT= 2.07        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000