CXY LATTICE,NONEQUIV.ATOMS   3   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.469753 19.588901 14.870255 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.71593000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.28407000 Z=0.75000000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.13690000 Z=0.05233000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.86310000 Z=0.94767000
      -2: X=0.00000000 Y=0.13690000 Z=0.44767000
      -2: X=0.00000000 Y=0.86310000 Z=0.55233000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
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=0.43010000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.56990000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000