CXY LATTICE,NONEQUIV.ATOMS   9   20 C2221                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.822462 18.689391 26.346562 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00040000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.99960000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00950000 Y=0.33380000 Z=0.09640000
          MULT= 4          ISPLIT= 8
      -2: X=0.99050000 Y=0.66620000 Z=0.59640000
      -2: X=0.00950000 Y=0.66620000 Z=0.90360000
      -2: X=0.99050000 Y=0.33380000 Z=0.40360000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.02060000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.97940000 Y=0.00000000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 1.84        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=0.51550000 Y=0.16740000 Z=0.15410000
          MULT= 4          ISPLIT= 8
      -4: X=0.48450000 Y=0.83260000 Z=0.65410000
      -4: X=0.51550000 Y=0.83260000 Z=0.84590000
      -4: X=0.48450000 Y=0.16740000 Z=0.34590000
Ti         NPT=  781  R0=.000050000 RMT= 1.84        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=0.00000000 Y=0.51450000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.48550000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.27390000 Y=0.24020000 Z=0.25470000
          MULT= 4          ISPLIT= 8
      -6: X=0.72610000 Y=0.75980000 Z=0.75470000
      -6: X=0.27390000 Y=0.75980000 Z=0.74530000
      -6: X=0.72610000 Y=0.24020000 Z=0.24530000
O          NPT=  781  R0=.000100000 RMT= 1.67        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  -7: X=0.50480000 Y=0.33180000 Z=0.08040000
          MULT= 4          ISPLIT= 8
      -7: X=0.49520000 Y=0.66820000 Z=0.58040000
      -7: X=0.50480000 Y=0.66820000 Z=0.91960000
      -7: X=0.49520000 Y=0.33180000 Z=0.41960000
O          NPT=  781  R0=.000100000 RMT= 1.67        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  -8: X=0.25100000 Y=0.07990000 Z=0.07590000
          MULT= 4          ISPLIT= 8
      -8: X=0.74900000 Y=0.92010000 Z=0.57590000
      -8: X=0.25100000 Y=0.92010000 Z=0.92410000
      -8: X=0.74900000 Y=0.07990000 Z=0.42410000
O          NPT=  781  R0=.000100000 RMT= 1.67        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  -9: X=0.25140000 Y=0.08430000 Z=0.42040000
          MULT= 4          ISPLIT= 8
      -9: X=0.74860000 Y=0.91570000 Z=0.92040000
      -9: X=0.25140000 Y=0.91570000 Z=0.57960000
      -9: X=0.74860000 Y=0.08430000 Z=0.07960000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000