CXY LATTICE,NONEQUIV.ATOMS   5   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.366799 25.154145 15.233082 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.34736000 Y=0.34641000 Z=0.03263000
          MULT= 8          ISPLIT= 8
      -1: X=0.65264000 Y=0.65359000 Z=0.96737000
      -1: X=0.34736000 Y=0.84641000 Z=0.46737000
      -1: X=0.65264000 Y=0.15359000 Z=0.53263000
      -1: X=0.65264000 Y=0.34641000 Z=0.03263000
      -1: X=0.34736000 Y=0.65359000 Z=0.96737000
      -1: X=0.65264000 Y=0.84641000 Z=0.46737000
      -1: X=0.34736000 Y=0.15359000 Z=0.53263000
Se         NPT=  781  R0=.000050000 RMT= 2.26        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  -2: X=0.00000000 Y=0.05251000 Z=0.32168000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.94749000 Z=0.67832000
      -2: X=0.00000000 Y=0.55251000 Z=0.17832000
      -2: X=0.00000000 Y=0.44749000 Z=0.82168000
Se         NPT=  781  R0=.000050000 RMT= 2.26        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  -3: X=0.00000000 Y=0.07761000 Z=0.05380000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.92239000 Z=0.94620000
      -3: X=0.00000000 Y=0.57761000 Z=0.44620000
      -3: X=0.00000000 Y=0.42239000 Z=0.55380000
P          NPT=  781  R0=.000100000 RMT= 1.85        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.25000000 Y=0.02820000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.75000000 Y=0.97180000 Z=0.75000000
      -4: X=0.25000000 Y=0.52820000 Z=0.25000000
      -4: X=0.75000000 Y=0.47180000 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
ATOM  -5: X=0.00000000 Y=0.31440000 Z=0.15550000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.68560000 Z=0.84450000
      -5: X=0.00000000 Y=0.81440000 Z=0.34450000
      -5: X=0.00000000 Y=0.18560000 Z=0.65550000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000