CXY LATTICE,NONEQUIV.ATOMS   7   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.852886 16.116151 17.185736 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.60105000 Z=0.09740000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.39895000 Z=0.59740000
Al         NPT=  781  R0=.000100000 RMT= 1.64        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=0.27117000 Y=0.16424000 Z=0.38730000
          MULT= 4          ISPLIT= 8
      -2: X=0.72883000 Y=0.83576000 Z=0.88730000
      -2: X=0.72883000 Y=0.16424000 Z=0.38730000
      -2: X=0.27117000 Y=0.83576000 Z=0.88730000
Al         NPT=  781  R0=.000100000 RMT= 1.64        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  -3: X=0.00000000 Y=0.06145000 Z=0.67771000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.93855000 Z=0.17771000
Al         NPT=  781  R0=.000100000 RMT= 1.64        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  -4: X=0.00000000 Y=0.19502000 Z=0.83285000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.80498000 Z=0.33285000
N          NPT=  781  R0=.000100000 RMT= 1.65        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  -5: X=0.24503000 Y=0.06528000 Z=0.21177000
          MULT= 4          ISPLIT= 8
      -5: X=0.75497000 Y=0.93472000 Z=0.71177000
      -5: X=0.75497000 Y=0.06528000 Z=0.21177000
      -5: X=0.24503000 Y=0.93472000 Z=0.71177000
N          NPT=  781  R0=.000100000 RMT= 1.65        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  -6: X=0.00000000 Y=0.55825000 Z=0.47669000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.44175000 Z=0.97669000
O          NPT=  781  R0=.000100000 RMT= 1.64        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  -7: X=0.00000000 Y=0.19543000 Z=0.50273000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.80457000 Z=0.00273000
C          NPT=  781  R0=.000100000 RMT= 1.69        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000