CXY LATTICE,NONEQUIV.ATOMS   6   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.316781 15.597800 13.751537 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00910000 Z=0.06351000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.99090000 Z=0.56351000
Ti         NPT=  781  R0=.000050000 RMT= 1.71        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  -2: X=0.24496000 Y=0.30944000 Z=0.29040000
          MULT= 4          ISPLIT= 8
      -2: X=0.75504000 Y=0.69056000 Z=0.79040000
      -2: X=0.75504000 Y=0.30944000 Z=0.29040000
      -2: X=0.24496000 Y=0.69056000 Z=0.79040000
I          NPT=  781  R0=.000010000 RMT= 1.80        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.07560000 Z=0.28950000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.92440000 Z=0.78950000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.36570000 Y=0.33620000 Z=0.09840000
          MULT= 4          ISPLIT= 8
      -4: X=0.63430000 Y=0.66380000 Z=0.59840000
      -4: X=0.63430000 Y=0.33620000 Z=0.09840000
      -4: X=0.36570000 Y=0.66380000 Z=0.59840000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.35990000 Y=0.33090000 Z=0.48110000
          MULT= 4          ISPLIT= 8
      -5: X=0.64010000 Y=0.66910000 Z=0.98110000
      -5: X=0.64010000 Y=0.33090000 Z=0.48110000
      -5: X=0.35990000 Y=0.66910000 Z=0.98110000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.33100000 Y=0.00400000 Z=0.28980000
          MULT= 4          ISPLIT= 8
      -6: X=0.66900000 Y=0.99600000 Z=0.78980000
      -6: X=0.66900000 Y=0.00400000 Z=0.28980000
      -6: X=0.33100000 Y=0.99600000 Z=0.78980000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000