R   LATTICE,NONEQUIV.ATOMS   3  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
 11.619549 11.619549 15.211728 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.49200000 Y=0.49200000 Z=0.49200000
          MULT= 1          ISPLIT= 4
Br         NPT=  781  R0=.000050000 RMT= 1.65        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.56800000 Y=0.12599000 Z=0.56800000
          MULT= 3          ISPLIT= 8
      -3: X=0.12599000 Y=0.56800000 Z=0.56800000
      -3: X=0.56800000 Y=0.56800000 Z=0.12599000
O          NPT=  781  R0=.000100000 RMT= 1.49        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000