H   LATTICE,NONEQUIV.ATOMS   5  151 P3112                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.602918 11.602918 32.881235 90.000000 90.000000120.000000                   
ATOM  -1: X=0.77777000 Y=0.22223000 Z=0.33333333
          MULT= 3          ISPLIT= 8
      -1: X=0.77777000 Y=0.55554000 Z=0.66666666
      -1: X=0.44446000 Y=0.22223000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.43        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000-0.8660254 0.5000000
                     0.0000000-0.5000000-0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.44447000 Y=0.55553000 Z=0.33333333
          MULT= 3          ISPLIT= 8
      -2: X=0.44447000 Y=0.88894000 Z=0.66666666
      -2: X=0.11106000 Y=0.55553000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.43        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000-0.8660254 0.5000000
                     0.0000000-0.5000000-0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.44447000 Y=0.22223000 Z=0.25397000
          MULT= 6          ISPLIT= 8
      -3: X=0.77777000 Y=0.22224000 Z=0.58730333
      -3: X=0.77777000 Y=0.55553000 Z=0.41269669
      -3: X=0.77776000 Y=0.55553000 Z=0.92063667
      -3: X=0.44447000 Y=0.22224000 Z=0.74603000
      -3: X=0.77776000 Y=0.22223000 Z=0.07936333
Cl         NPT=  781  R0=.000100000 RMT= 2.20        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.11107000 Y=0.22213000 Z=0.41270000
          MULT= 6          ISPLIT= 8
      -4: X=0.77787000 Y=0.88894000 Z=0.74603333
      -4: X=0.77787000 Y=0.88893000 Z=0.25396669
      -4: X=0.11106000 Y=0.88893000 Z=0.07936667
      -4: X=0.11107000 Y=0.88894000 Z=0.58730000
      -4: X=0.11106000 Y=0.22213000 Z=0.92063333
Cl         NPT=  781  R0=.000100000 RMT= 2.20        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.11107000 Y=0.55553000 Z=0.25397000
          MULT= 6          ISPLIT= 8
      -5: X=0.44447000 Y=0.55554000 Z=0.58730333
      -5: X=0.44447000 Y=0.88893000 Z=0.41269669
      -5: X=0.44446000 Y=0.88893000 Z=0.92063667
      -5: X=0.11107000 Y=0.55554000 Z=0.74603000
      -5: X=0.44446000 Y=0.55553000 Z=0.07936333
Cl         NPT=  781  R0=.000100000 RMT= 2.20        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000