CXY LATTICE,NONEQUIV.ATOMS   7   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.884823 16.132592 17.236192 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.06000000 Z=0.29070000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.94000000 Z=0.79070000
Al         NPT=  781  R0=.000100000 RMT= 1.61        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  -2: X=0.00000000 Y=0.39830000 Z=0.20970000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.60170000 Z=0.70970000
Al         NPT=  781  R0=.000100000 RMT= 1.61        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=0.27120000 Y=0.16260000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.72880000 Y=0.83740000 Z=0.50000000
      -3: X=0.72880000 Y=0.16260000 Z=0.00000000
      -3: X=0.27120000 Y=0.83740000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT= 1.61        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.19370000 Z=0.44430000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.80630000 Z=0.94430000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.55590000 Z=0.09300000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.44410000 Z=0.59300000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.25640000 Y=0.43400000 Z=0.32140000
          MULT= 4          ISPLIT= 8
      -6: X=0.74360000 Y=0.56600000 Z=0.82140000
      -6: X=0.74360000 Y=0.43400000 Z=0.32140000
      -6: X=0.25640000 Y=0.56600000 Z=0.82140000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.19700000 Z=0.11500000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.80300000 Z=0.61500000
C          NPT=  781  R0=.000100000 RMT= 1.70        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000