CXY LATTICE,NONEQUIV.ATOMS   4   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.816123 11.627863 12.802895 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.65089000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.34911000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.10        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  -2: X=0.00000000 Y=0.28873000 Z=0.08321000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.71127000 Z=0.91679000
      -2: X=0.00000000 Y=0.28873000 Z=0.41679000
      -2: X=0.00000000 Y=0.71127000 Z=0.58321000
F          NPT=  781  R0=.000100000 RMT= 1.44        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.16684000 Y=0.02327000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.83316000 Y=0.97673000 Z=0.75000000
      -3: X=0.83316000 Y=0.02327000 Z=0.25000000
      -3: X=0.16684000 Y=0.97673000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.44        Z:   9.00000              
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=0.15530000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.84470000 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT= 1.18        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000