CXY LATTICE,NONEQUIV.ATOMS   7   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 25.944050 18.991748 19.199618 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14132000 Y=0.02778000 Z=0.20681000
          MULT= 8          ISPLIT= 8
      -1: X=0.85868000 Y=0.97222000 Z=0.79319000
      -1: X=0.14132000 Y=0.52778000 Z=0.29319000
      -1: X=0.85868000 Y=0.47222000 Z=0.70681000
      -1: X=0.85868000 Y=0.02778000 Z=0.20681000
      -1: X=0.14132000 Y=0.97222000 Z=0.79319000
      -1: X=0.85868000 Y=0.52778000 Z=0.29319000
      -1: X=0.14132000 Y=0.47222000 Z=0.70681000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     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=0.35878000 Y=0.29340000 Z=0.01841000
          MULT= 8          ISPLIT= 8
      -2: X=0.64122000 Y=0.70660000 Z=0.98159000
      -2: X=0.35878000 Y=0.79340000 Z=0.48159000
      -2: X=0.64122000 Y=0.20660000 Z=0.51841000
      -2: X=0.64122000 Y=0.29340000 Z=0.01841000
      -2: X=0.35878000 Y=0.70660000 Z=0.98159000
      -2: X=0.64122000 Y=0.79340000 Z=0.48159000
      -2: X=0.35878000 Y=0.20660000 Z=0.51841000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     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  -3: X=0.00000000 Y=0.09760000 Z=0.40455000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.90240000 Z=0.59545000
      -3: X=0.00000000 Y=0.59760000 Z=0.09545000
      -3: X=0.00000000 Y=0.40240000 Z=0.90455000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     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  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.50000000 Z=0.50000000
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  -5: X=0.25000000 Y=0.26853000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.75000000 Y=0.73147000 Z=0.75000000
      -5: X=0.25000000 Y=0.76853000 Z=0.25000000
      -5: X=0.75000000 Y=0.23147000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.30210000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.69790000 Y=0.00000000 Z=0.00000000
      -6: X=0.30210000 Y=0.50000000 Z=0.50000000
      -6: X=0.69790000 Y=0.50000000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.46        Z:  20.00000              
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=0.30300000 Z=0.20200000
          MULT= 4          ISPLIT= 8
      -7: X=0.00000000 Y=0.69700000 Z=0.79800000
      -7: X=0.00000000 Y=0.80300000 Z=0.29800000
      -7: X=0.00000000 Y=0.19700000 Z=0.70200000
Ca         NPT=  781  R0=.000050000 RMT= 2.46        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000