CXY LATTICE,NONEQUIV.ATOMS   4   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.197512 19.605909 14.681282 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.10490000 Z=0.53910000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.89510000 Z=0.03910000
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=0.43000000 Z=0.31670000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.57000000 Z=0.81670000
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=0.20530000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.79470000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 1.97        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.22420000 Y=0.16130000 Z=0.15080000
          MULT= 4          ISPLIT= 8
      -4: X=0.77580000 Y=0.83870000 Z=0.65080000
      -4: X=0.77580000 Y=0.16130000 Z=0.15080000
      -4: X=0.22420000 Y=0.83870000 Z=0.65080000
S          NPT=  781  R0=.000100000 RMT= 1.97        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000