CXY LATTICE,NONEQUIV.ATOMS   7   20 C2221                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.697620 26.182156 22.226959 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04329000 Y=0.21238000 Z=0.12378000
          MULT= 4          ISPLIT= 8
      -1: X=0.95671000 Y=0.78762000 Z=0.62378000
      -1: X=0.04329000 Y=0.78762000 Z=0.87622000
      -1: X=0.95671000 Y=0.21238000 Z=0.37622000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.17350000 Y=0.05297000 Z=0.27604000
          MULT= 4          ISPLIT= 8
      -2: X=0.82650000 Y=0.94703000 Z=0.77604000
      -2: X=0.17350000 Y=0.94703000 Z=0.72396000
      -2: X=0.82650000 Y=0.05297000 Z=0.22396000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
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=0.43410000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.56590000 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  -4: X=0.08970000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.91030000 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  -5: X=0.30370000 Y=0.30200000 Z=0.33190000
          MULT= 4          ISPLIT= 8
      -5: X=0.69630000 Y=0.69800000 Z=0.83190000
      -5: X=0.30370000 Y=0.69800000 Z=0.66810000
      -5: X=0.69630000 Y=0.30200000 Z=0.16810000
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=0.27490000 Y=0.37810000 Z=0.04230000
          MULT= 4          ISPLIT= 8
      -6: X=0.72510000 Y=0.62190000 Z=0.54230000
      -6: X=0.27490000 Y=0.62190000 Z=0.95770000
      -6: X=0.72510000 Y=0.37810000 Z=0.45770000
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  -7: X=0.41310000 Y=0.13750000 Z=0.08270000
          MULT= 4          ISPLIT= 8
      -7: X=0.58690000 Y=0.86250000 Z=0.58270000
      -7: X=0.41310000 Y=0.86250000 Z=0.91730000
      -7: X=0.58690000 Y=0.13750000 Z=0.41730000
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