CXY LATTICE,NONEQUIV.ATOMS   5   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.297728 37.909796 13.332018 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.12120000 Z=0.42570000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.87880000 Z=0.57430000
      -1: X=0.00000000 Y=0.62120000 Z=0.07430000
      -1: X=0.00000000 Y=0.37880000 Z=0.92570000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
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=0.22410000 Z=0.07290000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.77590000 Z=0.92710000
      -2: X=0.00000000 Y=0.72410000 Z=0.42710000
      -2: X=0.00000000 Y=0.27590000 Z=0.57290000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.47980000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.52020000 Z=0.75000000
      -3: X=0.25000000 Y=0.97980000 Z=0.25000000
      -3: X=0.75000000 Y=0.02020000 Z=0.75000000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.08040000 Z=0.04590000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.91960000 Z=0.95410000
      -4: X=0.00000000 Y=0.58040000 Z=0.45410000
      -4: X=0.00000000 Y=0.41960000 Z=0.54590000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     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  -5: X=0.25000000 Y=0.33670000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.75000000 Y=0.66330000 Z=0.75000000
      -5: X=0.25000000 Y=0.83670000 Z=0.25000000
      -5: X=0.75000000 Y=0.16330000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000