H   LATTICE,NONEQUIV.ATOMS   7  149 P312                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.627485 11.627485 33.259180 90.000000 90.000000120.000000                   
ATOM  -1: X=0.66666667 Y=0.33333333 Z=0.33390000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.66610000
Ti         NPT=  781  R0=.000050000 RMT= 2.28        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=0.00000000
          MULT= 1          ISPLIT= 4
Ti         NPT=  781  R0=.000050000 RMT= 2.28        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ti         NPT=  781  R0=.000050000 RMT= 2.28        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  -4: X=0.00000000 Y=0.00000000 Z=0.33400000
          MULT= 2          ISPLIT= 4
      -4: X=0.00000000 Y=0.00000000 Z=0.66600000
Ti         NPT=  781  R0=.000050000 RMT= 2.28        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  -5: X=0.04207000 Y=0.35443000 Z=0.07850000
          MULT= 6          ISPLIT= 8
      -5: X=0.64557000 Y=0.68764000 Z=0.07850000
      -5: X=0.64557000 Y=0.95793000 Z=0.92150000
      -5: X=0.31236000 Y=0.95793000 Z=0.07850000
      -5: X=0.04207000 Y=0.68764000 Z=0.92150000
      -5: X=0.31236000 Y=0.35443000 Z=0.92150000
Cl         NPT=  781  R0=.000100000 RMT= 2.07        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  -6: X=0.33737000 Y=0.34093000 Z=0.25660000
          MULT= 6          ISPLIT= 8
      -6: X=0.65907000 Y=0.99644000 Z=0.25660000
      -6: X=0.65907000 Y=0.66263000 Z=0.74340000
      -6: X=0.00356000 Y=0.66263000 Z=0.25660000
      -6: X=0.33737000 Y=0.99644000 Z=0.74340000
      -6: X=0.00356000 Y=0.34093000 Z=0.74340000
Cl         NPT=  781  R0=.000100000 RMT= 2.07        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  -7: X=0.00547000 Y=0.34403000 Z=0.41310000
          MULT= 6          ISPLIT= 8
      -7: X=0.65597000 Y=0.66144000 Z=0.41310000
      -7: X=0.65597000 Y=0.99453000 Z=0.58690000
      -7: X=0.33856000 Y=0.99453000 Z=0.41310000
      -7: X=0.00547000 Y=0.66144000 Z=0.58690000
      -7: X=0.33856000 Y=0.34403000 Z=0.58690000
Cl         NPT=  781  R0=.000100000 RMT= 2.07        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000