CXY LATTICE,NONEQUIV.ATOMS   6   20 C2221                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.571343 19.010645 14.097357 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.20000000 Y=0.29000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.80000000 Y=0.71000000 Z=0.75000000
      -1: X=0.20000000 Y=0.71000000 Z=0.75000000
      -1: X=0.80000000 Y=0.29000000 Z=0.25000000
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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT= 1.73        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.23000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.77000000 Y=0.00000000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 1.82        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.77000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.23000000 Y=0.00000000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 1.82        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.03300000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.96700000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.82        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.19000000 Z=0.54000000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.81000000 Z=0.04000000
      -6: X=0.00000000 Y=0.81000000 Z=0.46000000
      -6: X=0.00000000 Y=0.19000000 Z=0.96000000
F          NPT=  781  R0=.000100000 RMT= 1.82        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000