R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.555675 11.555675 28.156917 90.000000 90.000000120.000000                   
ATOM  -1: X=0.75340000 Y=0.25331000 Z=0.75340000
          MULT= 6          ISPLIT= 8
      -1: X=0.24660000 Y=0.74669000 Z=0.24660000
      -1: X=0.25331000 Y=0.75340000 Z=0.75340000
      -1: X=0.74669000 Y=0.24660000 Z=0.24660000
      -1: X=0.75340000 Y=0.75340000 Z=0.25331000
      -1: X=0.24660000 Y=0.24660000 Z=0.74669000
Ti         NPT=  781  R0=.000050000 RMT= 2.20        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.25390000 Y=0.25390000 Z=0.25390000
          MULT= 2          ISPLIT= 4
      -2: X=0.74610000 Y=0.74610000 Z=0.74610000
Ti         NPT=  781  R0=.000050000 RMT= 2.20        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=0.50000000 Y=0.50000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.50000000
      -3: X=0.00000000 Y=0.50000000 Z=0.50000000
C          NPT=  781  R0=.000100000 RMT= 1.80        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.80        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.80        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000