H   LATTICE,NONEQUIV.ATOMS   3  163 P-31c                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.608588 11.608588 22.143811 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 2.41        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 2.41        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00810000 Y=0.33510000 Z=0.13260000
          MULT=12          ISPLIT= 8
      -3: X=0.99190000 Y=0.66490000 Z=0.86740000
      -3: X=0.66490000 Y=0.67300000 Z=0.13260000
      -3: X=0.33510000 Y=0.32700000 Z=0.86740000
      -3: X=0.33510000 Y=0.00810000 Z=0.63260000
      -3: X=0.66490000 Y=0.99190000 Z=0.36740000
      -3: X=0.32700000 Y=0.99190000 Z=0.13260000
      -3: X=0.67300000 Y=0.00810000 Z=0.86740000
      -3: X=0.99190000 Y=0.32700000 Z=0.63260000
      -3: X=0.00810000 Y=0.67300000 Z=0.36740000
      -3: X=0.67300000 Y=0.66490000 Z=0.63260000
      -3: X=0.32700000 Y=0.33510000 Z=0.36740000
Cl         NPT=  781  R0=.000100000 RMT= 2.18        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000