CXY LATTICE,NONEQUIV.ATOMS   6   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.310011 22.466954 25.123909 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.05740000 Z=0.36290000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.94260000 Z=0.63710000
      -1: X=0.00000000 Y=0.55740000 Z=0.13710000
      -1: X=0.00000000 Y=0.44260000 Z=0.86290000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.36900000 Z=0.42610000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.63100000 Z=0.57390000
      -2: X=0.00000000 Y=0.86900000 Z=0.07390000
      -2: X=0.00000000 Y=0.13100000 Z=0.92610000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.24550000 Z=0.17030000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.75450000 Z=0.82970000
      -3: X=0.00000000 Y=0.74550000 Z=0.32970000
      -3: X=0.00000000 Y=0.25450000 Z=0.67030000
Ti         NPT=  781  R0=.000050000 RMT= 1.72        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  -4: X=0.00000000 Y=0.33140000 Z=0.06370000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.66860000 Z=0.93630000
      -4: X=0.00000000 Y=0.83140000 Z=0.43630000
      -4: X=0.00000000 Y=0.16860000 Z=0.56370000
O          NPT=  781  R0=.000100000 RMT= 1.56        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  -5: X=0.00000000 Y=0.10250000 Z=0.13790000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.89750000 Z=0.86210000
      -5: X=0.00000000 Y=0.60250000 Z=0.36210000
      -5: X=0.00000000 Y=0.39750000 Z=0.63790000
O          NPT=  781  R0=.000100000 RMT= 1.56        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  -6: X=0.25000000 Y=0.27700000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.75000000 Y=0.72300000 Z=0.75000000
      -6: X=0.25000000 Y=0.77700000 Z=0.25000000
      -6: X=0.75000000 Y=0.22300000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000