CXY LATTICE,NONEQUIV.ATOMS   7   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.657266 10.901830 20.121804 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.20881000 Z=0.75000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.79119000 Z=0.25000000
W          NPT=  781  R0=.000005000 RMT= 1.83        Z:  74.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.18620000 Y=0.35040000 Z=0.25750000
          MULT= 4          ISPLIT= 8
      -2: X=0.81380000 Y=0.64960000 Z=0.75750000
      -2: X=0.81380000 Y=0.35040000 Z=0.25750000
      -2: X=0.18620000 Y=0.64960000 Z=0.75750000
Na         NPT=  781  R0=.000100000 RMT= 2.11        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  -3: X=0.19140000 Y=0.01530000 Z=0.50870000
          MULT= 4          ISPLIT= 8
      -3: X=0.80860000 Y=0.98470000 Z=0.00870000
      -3: X=0.80860000 Y=0.01530000 Z=0.50870000
      -3: X=0.19140000 Y=0.98470000 Z=0.00870000
Na         NPT=  781  R0=.000100000 RMT= 2.11        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=0.00000000 Y=0.43210000 Z=0.02540000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.56790000 Z=0.52540000
Na         NPT=  781  R0=.000100000 RMT= 2.11        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=0.36480000 Y=0.21940000 Z=0.37680000
          MULT= 4          ISPLIT= 8
      -5: X=0.63520000 Y=0.78060000 Z=0.87680000
      -5: X=0.63520000 Y=0.21940000 Z=0.37680000
      -5: X=0.36480000 Y=0.78060000 Z=0.87680000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.36410000 Y=0.17610000 Z=0.13240000
          MULT= 4          ISPLIT= 8
      -6: X=0.63590000 Y=0.82390000 Z=0.63240000
      -6: X=0.63590000 Y=0.17610000 Z=0.13240000
      -6: X=0.36410000 Y=0.82390000 Z=0.63240000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.09500000 Z=0.22380000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.90500000 Z=0.72380000
N          NPT=  781  R0=.000100000 RMT= 1.50        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000