CXY LATTICE,NONEQUIV.ATOMS   7   20 C2221                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.780201 26.333334 22.096001 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.43300000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.56700000 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  -2: X=0.09200000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.90800000 Y=0.00000000 Z=0.50000000
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
ATOM  -3: X=0.30600000 Y=0.29700000 Z=0.32900000
          MULT= 4          ISPLIT= 8
      -3: X=0.69400000 Y=0.70300000 Z=0.82900000
      -3: X=0.30600000 Y=0.70300000 Z=0.67100000
      -3: X=0.69400000 Y=0.29700000 Z=0.17100000
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  -4: X=0.27800000 Y=0.37400000 Z=0.04300000
          MULT= 4          ISPLIT= 8
      -4: X=0.72200000 Y=0.62600000 Z=0.54300000
      -4: X=0.27800000 Y=0.62600000 Z=0.95700000
      -4: X=0.72200000 Y=0.37400000 Z=0.45700000
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  -5: X=0.40500000 Y=0.13000000 Z=0.08400000
          MULT= 4          ISPLIT= 8
      -5: X=0.59500000 Y=0.87000000 Z=0.58400000
      -5: X=0.40500000 Y=0.87000000 Z=0.91600000
      -5: X=0.59500000 Y=0.13000000 Z=0.41600000
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  -6: X=0.04840000 Y=0.21550000 Z=0.11800000
          MULT= 4          ISPLIT= 8
      -6: X=0.95160000 Y=0.78450000 Z=0.61800000
      -6: X=0.04840000 Y=0.78450000 Z=0.88200000
      -6: X=0.95160000 Y=0.21550000 Z=0.38200000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.17760000 Y=0.04980000 Z=0.27700000
          MULT= 4          ISPLIT= 8
      -7: X=0.82240000 Y=0.95020000 Z=0.77700000
      -7: X=0.17760000 Y=0.95020000 Z=0.72300000
      -7: X=0.82240000 Y=0.04980000 Z=0.22300000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000