H   LATTICE,NONEQUIV.ATOMS   3  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.264657 11.264657  9.176510 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.31250000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.68750000
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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ti         NPT=  781  R0=.000050000 RMT= 1.84        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  -3: X=0.84720000 Y=0.15280000 Z=0.22180000
          MULT= 6          ISPLIT= 8
      -3: X=0.15280000 Y=0.84720000 Z=0.77820000
      -3: X=0.84720000 Y=0.69440000 Z=0.22180000
      -3: X=0.15280000 Y=0.30560000 Z=0.77820000
      -3: X=0.30560000 Y=0.15280000 Z=0.22180000
      -3: X=0.69440000 Y=0.84720000 Z=0.77820000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000