R   LATTICE,NONEQUIV.ATOMS   2  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.241647 12.241647 35.209377 90.000000 90.000000120.000000                   
ATOM  -1: X=0.16640000 Y=0.16640000 Z=0.16640000
          MULT= 2          ISPLIT= 4
      -1: X=0.83360000 Y=0.83360000 Z=0.83360000
Ti         NPT=  781  R0=.000050000 RMT= 2.43        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.42090000 Y=0.76791000 Z=0.07210000
          MULT= 6          ISPLIT= 8
      -2: X=0.57910000 Y=0.23209000 Z=0.92790000
      -2: X=0.76791000 Y=0.07210000 Z=0.42090000
      -2: X=0.23209000 Y=0.92790000 Z=0.57910000
      -2: X=0.07210000 Y=0.42090000 Z=0.76791000
      -2: X=0.92790000 Y=0.57910000 Z=0.23209000
Br         NPT=  781  R0=.000050000 RMT= 2.43        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000