CXY LATTICE,NONEQUIV.ATOMS   9   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 31.919364 11.907731 15.734994 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.34044000 Y=0.02425000 Z=0.18380000
          MULT= 4          ISPLIT= 8
      -1: X=0.65956000 Y=0.97575000 Z=0.68380000
      -1: X=0.65956000 Y=0.02425000 Z=0.18380000
      -1: X=0.34044000 Y=0.97575000 Z=0.68380000
Au         NPT=  781  R0=.000005000 RMT= 2.05        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.16137000 Y=0.03230000 Z=0.30420000
          MULT= 4          ISPLIT= 8
      -2: X=0.83863000 Y=0.96770000 Z=0.80420000
      -2: X=0.83863000 Y=0.03230000 Z=0.30420000
      -2: X=0.16137000 Y=0.96770000 Z=0.80420000
Se         NPT=  781  R0=.000050000 RMT= 1.60        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.34570000 Y=0.33970000 Z=0.16030000
          MULT= 4          ISPLIT= 8
      -3: X=0.65430000 Y=0.66030000 Z=0.66030000
      -3: X=0.65430000 Y=0.33970000 Z=0.16030000
      -3: X=0.34570000 Y=0.66030000 Z=0.66030000
O          NPT=  781  R0=.000100000 RMT= 1.45        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  -4: X=0.16970000 Y=0.21410000 Z=0.14960000
          MULT= 4          ISPLIT= 8
      -4: X=0.83030000 Y=0.78590000 Z=0.64960000
      -4: X=0.83030000 Y=0.21410000 Z=0.14960000
      -4: X=0.16970000 Y=0.78590000 Z=0.64960000
O          NPT=  781  R0=.000100000 RMT= 1.45        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  -5: X=0.26110000 Y=0.02170000 Z=0.36270000
          MULT= 4          ISPLIT= 8
      -5: X=0.73890000 Y=0.97830000 Z=0.86270000
      -5: X=0.73890000 Y=0.02170000 Z=0.36270000
      -5: X=0.26110000 Y=0.97830000 Z=0.86270000
O          NPT=  781  R0=.000100000 RMT= 1.45        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  -6: X=0.00000000 Y=0.35950000 Z=0.03250000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.64050000 Z=0.53250000
Se         NPT=  781  R0=.000050000 RMT= 1.60        Z:  34.00000              
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=0.80240000 Z=0.37970000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.19760000 Z=0.87970000
O          NPT=  781  R0=.000100000 RMT= 1.45        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=0.41990000 Y=0.03000000 Z=0.00650000
          MULT= 4          ISPLIT= 8
      -8: X=0.58010000 Y=0.97000000 Z=0.50650000
      -8: X=0.58010000 Y=0.03000000 Z=0.00650000
      -8: X=0.41990000 Y=0.97000000 Z=0.50650000
O          NPT=  781  R0=.000100000 RMT= 1.45        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=0.00000000 Y=0.26220000 Z=0.21270000
          MULT= 2          ISPLIT= 8
      -9: X=0.00000000 Y=0.73780000 Z=0.71270000
O          NPT=  781  R0=.000100000 RMT= 1.45        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000