CXY LATTICE,NONEQUIV.ATOMS   7   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.000096 22.130583 14.974190 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.60410000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.39590000 Z=0.50000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.05780000 Z=0.34650000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.94220000 Z=0.84650000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.31040000 Z=0.05510000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.68960000 Z=0.55510000
As         NPT=  781  R0=.000050000 RMT= 1.66        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.20650000 Z=0.76760000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.79350000 Z=0.26760000
Li         NPT=  781  R0=.000100000 RMT= 1.60        Z:   3.00000              
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=0.16790000 Z=0.02280000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.83210000 Z=0.52280000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.63180000 Z=0.35810000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.36820000 Z=0.85810000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.23570000 Y=0.35390000 Z=0.16040000
          MULT= 4          ISPLIT= 8
      -7: X=0.76430000 Y=0.64610000 Z=0.66040000
      -7: X=0.76430000 Y=0.35390000 Z=0.16040000
      -7: X=0.23570000 Y=0.64610000 Z=0.66040000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000