R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.905611 10.905611 26.713170 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ca         NPT=  781  R0=.000050000 RMT= 2.00        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Ti         NPT=  781  R0=.000050000 RMT= 1.85        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=0.73400000 Y=0.22401000 Z=0.73400000
          MULT= 6          ISPLIT= 8
      -3: X=0.26600000 Y=0.77599000 Z=0.26600000
      -3: X=0.22401000 Y=0.73400000 Z=0.73400000
      -3: X=0.77599000 Y=0.26600000 Z=0.26600000
      -3: X=0.73400000 Y=0.73400000 Z=0.22401000
      -3: X=0.26600000 Y=0.26600000 Z=0.77599000
F          NPT=  781  R0=.000100000 RMT= 1.76        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000