CXY LATTICE,NONEQUIV.ATOMS   3   20 C2221                                      
MODE OF CALC=RELA unit=bohr                                                    
  6.495367 11.345916 69.033585 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.24100000 Y=0.00120000 Z=0.08475000
          MULT= 4          ISPLIT= 8
      -1: X=0.75900000 Y=0.99880000 Z=0.58475000
      -1: X=0.24100000 Y=0.99880000 Z=0.91525000
      -1: X=0.75900000 Y=0.00120000 Z=0.41525000
Nb         NPT=  781  R0=.000010000 RMT= 2.41        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.24400000 Y=0.33510000 Z=0.03988000
          MULT= 4          ISPLIT= 8
      -2: X=0.75600000 Y=0.66490000 Z=0.53988000
      -2: X=0.24400000 Y=0.66490000 Z=0.96012000
      -2: X=0.75600000 Y=0.33510000 Z=0.46012000
Se         NPT=  781  R0=.000050000 RMT= 2.41        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  -3: X=0.23700000 Y=0.33280000 Z=0.13067000
          MULT= 4          ISPLIT= 8
      -3: X=0.76300000 Y=0.66720000 Z=0.63067000
      -3: X=0.23700000 Y=0.66720000 Z=0.86933000
      -3: X=0.76300000 Y=0.33280000 Z=0.36933000
Se         NPT=  781  R0=.000050000 RMT= 2.41        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000