CXY LATTICE,NONEQUIV.ATOMS   4   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.845689 20.518646 15.074345 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.09820000 Z=0.54810000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.90180000 Z=0.04810000
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=0.42230000 Z=0.32950000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.57770000 Z=0.82950000
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=0.21170000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.78830000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT= 2.23        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.23750000 Y=0.16390000 Z=0.17270000
          MULT= 4          ISPLIT= 8
      -4: X=0.76250000 Y=0.83610000 Z=0.67270000
      -4: X=0.76250000 Y=0.16390000 Z=0.17270000
      -4: X=0.23750000 Y=0.83610000 Z=0.67270000
Se         NPT=  781  R0=.000050000 RMT= 2.23        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000