R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.046714 14.046714 37.267290 90.000000 90.000000120.000000                   
ATOM  -1: X=0.34228000 Y=0.34228000 Z=0.34228000
          MULT= 2          ISPLIT= 4
      -1: X=0.65772000 Y=0.65772000 Z=0.65772000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
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=0.50000000
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.09475000 Y=0.09475000 Z=0.09475000
          MULT= 2          ISPLIT= 4
      -3: X=0.90525000 Y=0.90525000 Z=0.90525000
Cl         NPT=  781  R0=.000100000 RMT= 2.27        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.60064000 Y=0.07898000 Z=0.60064000
          MULT= 6          ISPLIT= 8
      -4: X=0.39936000 Y=0.92102000 Z=0.39936000
      -4: X=0.07898000 Y=0.60064000 Z=0.60064000
      -4: X=0.92102000 Y=0.39936000 Z=0.39936000
      -4: X=0.60064000 Y=0.60064000 Z=0.07898000
      -4: X=0.39936000 Y=0.39936000 Z=0.92102000
Cl         NPT=  781  R0=.000100000 RMT= 2.27        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000