R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 14.738543 14.738543 15.047322 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Br         NPT=  781  R0=.000050000 RMT= 1.79        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.19110000 Y=0.29581000 Z=0.92220000
          MULT= 6          ISPLIT= 8
      -3: X=0.80890000 Y=0.70419000 Z=0.07780000
      -3: X=0.29581000 Y=0.92220000 Z=0.19110000
      -3: X=0.70419000 Y=0.07780000 Z=0.80890000
      -3: X=0.92220000 Y=0.19110000 Z=0.29581000
      -3: X=0.07780000 Y=0.80890000 Z=0.70419000
F          NPT=  781  R0=.000100000 RMT= 1.70        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000