CXY LATTICE,NONEQUIV.ATOMS   3   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.623765 20.310776 14.356060 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.42549000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.57451000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
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=0.71157000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.28843000 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  -3: X=0.00000000 Y=0.13582000 Z=0.05129000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.86418000 Z=0.94871000
      -3: X=0.00000000 Y=0.13582000 Z=0.44871000
      -3: X=0.00000000 Y=0.86418000 Z=0.55129000
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