CXY LATTICE,NONEQUIV.ATOMS   3   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.763761 13.471858 10.884823 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.32080000 Y=0.15080000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.67920000 Y=0.84920000 Z=0.75000000
      -1: X=0.67920000 Y=0.15080000 Z=0.25000000
      -1: X=0.32080000 Y=0.84920000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.47        Z:  79.00000              
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=0.28680000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.71320000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 2.23        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000