H   LATTICE,NONEQUIV.ATOMS   6  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.385480 17.385480  9.694295 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= 1.88        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=0.33333333 Y=0.66666667 Z=0.50000000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 1.88        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=0.33000000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -3: X=0.67000000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.33000000 Z=0.00000000
      -3: X=0.00000000 Y=0.67000000 Z=0.00000000
      -3: X=0.67000000 Y=0.67000000 Z=0.00000000
      -3: X=0.33000000 Y=0.33000000 Z=0.00000000
Na         NPT=  781  R0=.000100000 RMT= 2.00        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.10000000 Y=0.90000000 Z=0.23000000
          MULT= 6          ISPLIT= 8
      -4: X=0.90000000 Y=0.10000000 Z=0.77000000
      -4: X=0.10000000 Y=0.20000000 Z=0.23000000
      -4: X=0.90000000 Y=0.80000000 Z=0.77000000
      -4: X=0.80000000 Y=0.90000000 Z=0.23000000
      -4: X=0.20000000 Y=0.10000000 Z=0.77000000
F          NPT=  781  R0=.000100000 RMT= 1.79        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.76000000 Y=0.24000000 Z=0.23000000
          MULT= 6          ISPLIT= 8
      -5: X=0.24000000 Y=0.76000000 Z=0.77000000
      -5: X=0.76000000 Y=0.52000000 Z=0.23000000
      -5: X=0.24000000 Y=0.48000000 Z=0.77000000
      -5: X=0.48000000 Y=0.24000000 Z=0.23000000
      -5: X=0.52000000 Y=0.76000000 Z=0.77000000
F          NPT=  781  R0=.000100000 RMT= 1.79        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.42000000 Y=0.58000000 Z=0.23000000
          MULT= 6          ISPLIT= 8
      -6: X=0.58000000 Y=0.42000000 Z=0.77000000
      -6: X=0.42000000 Y=0.84000000 Z=0.23000000
      -6: X=0.58000000 Y=0.16000000 Z=0.77000000
      -6: X=0.16000000 Y=0.58000000 Z=0.23000000
      -6: X=0.84000000 Y=0.42000000 Z=0.77000000
F          NPT=  781  R0=.000100000 RMT= 1.79        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000