CXY LATTICE,NONEQUIV.ATOMS   8   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 25.434202 23.141208 20.706863 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11510000 Y=0.06751000 Z=0.11746000
          MULT= 8          ISPLIT= 8
      -1: X=0.88490000 Y=0.93249000 Z=0.88254000
      -1: X=0.11510000 Y=0.56751000 Z=0.38254000
      -1: X=0.88490000 Y=0.43249000 Z=0.61746000
      -1: X=0.88490000 Y=0.06751000 Z=0.11746000
      -1: X=0.11510000 Y=0.93249000 Z=0.88254000
      -1: X=0.88490000 Y=0.56751000 Z=0.38254000
      -1: X=0.11510000 Y=0.43249000 Z=0.61746000
Ti         NPT=  781  R0=.000050000 RMT= 2.14        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=0.00000000 Y=0.35814000 Z=0.39662000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.64186000 Z=0.60338000
      -2: X=0.00000000 Y=0.85814000 Z=0.10338000
      -2: X=0.00000000 Y=0.14186000 Z=0.89662000
Ti         NPT=  781  R0=.000050000 RMT= 2.14        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25096000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.74904000 Y=0.00000000 Z=0.00000000
      -3: X=0.25096000 Y=0.50000000 Z=0.50000000
      -3: X=0.74904000 Y=0.50000000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.12        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.15194000 Z=0.26541000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.84806000 Z=0.73459000
      -4: X=0.00000000 Y=0.65194000 Z=0.23459000
      -4: X=0.00000000 Y=0.34806000 Z=0.76541000
Cl         NPT=  781  R0=.000100000 RMT= 2.12        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.12245000 Y=0.41035000 Z=0.25212000
          MULT= 8          ISPLIT= 8
      -5: X=0.87755000 Y=0.58965000 Z=0.74788000
      -5: X=0.12245000 Y=0.91035000 Z=0.24788000
      -5: X=0.87755000 Y=0.08965000 Z=0.75212000
      -5: X=0.87755000 Y=0.41035000 Z=0.25212000
      -5: X=0.12245000 Y=0.58965000 Z=0.74788000
      -5: X=0.87755000 Y=0.91035000 Z=0.24788000
      -5: X=0.12245000 Y=0.08965000 Z=0.75212000
Cl         NPT=  781  R0=.000100000 RMT= 2.12        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=0.12292000 Y=0.23822000 Z=0.00938000
          MULT= 8          ISPLIT= 8
      -6: X=0.87708000 Y=0.76178000 Z=0.99062000
      -6: X=0.12292000 Y=0.73822000 Z=0.49062000
      -6: X=0.87708000 Y=0.26178000 Z=0.50938000
      -6: X=0.87708000 Y=0.23822000 Z=0.00938000
      -6: X=0.12292000 Y=0.76178000 Z=0.99062000
      -6: X=0.87708000 Y=0.73822000 Z=0.49062000
      -6: X=0.12292000 Y=0.26178000 Z=0.50938000
Cl         NPT=  781  R0=.000100000 RMT= 2.12        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=0.25000000 Y=0.14935000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -7: X=0.75000000 Y=0.85065000 Z=0.75000000
      -7: X=0.25000000 Y=0.64935000 Z=0.25000000
      -7: X=0.75000000 Y=0.35065000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.12        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.00000000 Y=0.50000000 Z=0.50000000
C          NPT=  781  R0=.000100000 RMT= 1.75        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000