CXY LATTICE,NONEQUIV.ATOMS  11   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.909767 25.458202 17.923296 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.01227000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.98773000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
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=0.53306000 Z=0.24530000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.46694000 Z=0.74530000
Al         NPT=  781  R0=.000100000 RMT= 1.58        Z:  13.00000              
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=0.29205000 Z=0.51300000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.70795000 Z=0.01300000
Si         NPT=  781  R0=.000100000 RMT= 1.42        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.24760000 Y=0.33128000 Z=0.23190000
          MULT= 4          ISPLIT= 8
      -4: X=0.75240000 Y=0.66872000 Z=0.73190000
      -4: X=0.75240000 Y=0.33128000 Z=0.23190000
      -4: X=0.24760000 Y=0.66872000 Z=0.73190000
Si         NPT=  781  R0=.000100000 RMT= 1.42        Z:  14.00000              
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=0.71580000 Z=0.45710000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.28420000 Z=0.95710000
Si         NPT=  781  R0=.000100000 RMT= 1.42        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.24210000 Y=0.45910000 Z=0.24560000
          MULT= 4          ISPLIT= 8
      -6: X=0.75790000 Y=0.54090000 Z=0.74560000
      -6: X=0.75790000 Y=0.45910000 Z=0.24560000
      -6: X=0.24210000 Y=0.54090000 Z=0.74560000
O          NPT=  781  R0=.000100000 RMT= 1.58        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=0.00000000 Y=0.59460000 Z=0.09100000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.40540000 Z=0.59100000
N          NPT=  781  R0=.000100000 RMT= 1.54        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.20030000 Z=0.63180000
          MULT= 2          ISPLIT= 8
      -8: X=0.00000000 Y=0.79970000 Z=0.13180000
N          NPT=  781  R0=.000100000 RMT= 1.54        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -9: X=0.00000000 Y=0.29030000 Z=0.14620000
          MULT= 2          ISPLIT= 8
      -9: X=0.00000000 Y=0.70970000 Z=0.64620000
N          NPT=  781  R0=.000100000 RMT= 1.54        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -10: X=0.25450000 Y=0.28480000 Z=0.40600000
          MULT= 4          ISPLIT= 8
     -10: X=0.74550000 Y=0.71520000 Z=0.90600000
     -10: X=0.74550000 Y=0.28480000 Z=0.40600000
     -10: X=0.25450000 Y=0.71520000 Z=0.90600000
N          NPT=  781  R0=.000100000 RMT= 1.54        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.00000000 Y=0.60290000 Z=0.39240000
          MULT= 2          ISPLIT= 8
     -11: X=0.00000000 Y=0.39710000 Z=0.89240000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000