R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.804904  6.804904 51.797394 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= 2.17        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=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Ti         NPT=  781  R0=.000050000 RMT= 2.17        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=0.08800000 Y=0.08800000 Z=0.08800000
          MULT= 2          ISPLIT= 4
      -3: X=0.91200000 Y=0.91200000 Z=0.91200000
Ti         NPT=  781  R0=.000050000 RMT= 2.17        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  -4: X=0.20900000 Y=0.20900000 Z=0.20900000
          MULT= 2          ISPLIT= 4
      -4: X=0.79100000 Y=0.79100000 Z=0.79100000
Se         NPT=  781  R0=.000050000 RMT= 2.17        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.37500000 Y=0.37500000 Z=0.37500000
          MULT= 2          ISPLIT= 4
      -5: X=0.62500000 Y=0.62500000 Z=0.62500000
Se         NPT=  781  R0=.000050000 RMT= 2.17        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000