CXY LATTICE,NONEQUIV.ATOMS  11   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.902586 25.424942 17.910635 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00865000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.99135000 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=0.53310000 Z=0.25330000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.46690000 Z=0.75330000
Al         NPT=  781  R0=.000100000 RMT= 1.44        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=0.29080000 Z=0.51700000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.70920000 Z=0.01700000
Si         NPT=  781  R0=.000100000 RMT= 1.44        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=0.24870000 Y=0.33190000 Z=0.23630000
          MULT= 4          ISPLIT= 8
      -4: X=0.75130000 Y=0.66810000 Z=0.73630000
      -4: X=0.75130000 Y=0.33190000 Z=0.23630000
      -4: X=0.24870000 Y=0.66810000 Z=0.73630000
Si         NPT=  781  R0=.000100000 RMT= 1.44        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=0.71300000 Z=0.46280000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.28700000 Z=0.96280000
Al         NPT=  781  R0=.000100000 RMT= 1.44        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  -6: X=0.25510000 Y=0.45980000 Z=0.25400000
          MULT= 4          ISPLIT= 8
      -6: X=0.74490000 Y=0.54020000 Z=0.75400000
      -6: X=0.74490000 Y=0.45980000 Z=0.25400000
      -6: X=0.25510000 Y=0.54020000 Z=0.75400000
O          NPT=  781  R0=.000100000 RMT= 1.44        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=0.59610000 Z=0.08600000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.40390000 Z=0.58600000
O          NPT=  781  R0=.000100000 RMT= 1.44        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  -8: X=0.00000000 Y=0.19690000 Z=0.64000000
          MULT= 2          ISPLIT= 8
      -8: X=0.00000000 Y=0.80310000 Z=0.14000000
N          NPT=  781  R0=.000100000 RMT= 1.44        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=0.29850000 Z=0.12800000
          MULT= 2          ISPLIT= 8
      -9: X=0.00000000 Y=0.70150000 Z=0.62800000
N          NPT=  781  R0=.000100000 RMT= 1.44        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=0.25100000 Y=0.27820000 Z=0.40550000
          MULT= 4          ISPLIT= 8
     -10: X=0.74900000 Y=0.72180000 Z=0.90550000
     -10: X=0.74900000 Y=0.27820000 Z=0.40550000
     -10: X=0.25100000 Y=0.72180000 Z=0.90550000
N          NPT=  781  R0=.000100000 RMT= 1.44        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=0.60540000 Z=0.40900000
          MULT= 2          ISPLIT= 8
     -11: X=0.00000000 Y=0.39460000 Z=0.90900000
O          NPT=  781  R0=.000100000 RMT= 1.44        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000