R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.462863  6.462863 50.077742 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ti         NPT=  781  R0=.000050000 RMT= 2.32        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=0.12200000 Y=0.12200000 Z=0.12200000
          MULT= 2          ISPLIT= 4
      -2: X=0.87800000 Y=0.87800000 Z=0.87800000
Ti         NPT=  781  R0=.000050000 RMT= 2.32        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=0.50000000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.27400000 Y=0.27400000 Z=0.27400000
          MULT= 2          ISPLIT= 4
      -4: X=0.72600000 Y=0.72600000 Z=0.72600000
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000