R   LATTICE,NONEQUIV.ATOMS   2  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.082909 12.082909 33.126898 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
W          NPT=  781  R0=.000005000 RMT= 2.36        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08570000 Y=0.39160000 Z=0.76510000
          MULT= 6          ISPLIT= 8
      -2: X=0.91430000 Y=0.60840000 Z=0.23490000
      -2: X=0.39160000 Y=0.76510000 Z=0.08570000
      -2: X=0.60840000 Y=0.23490000 Z=0.91430000
      -2: X=0.76510000 Y=0.08570000 Z=0.39160000
      -2: X=0.23490000 Y=0.91430000 Z=0.60840000
Br         NPT=  781  R0=.000050000 RMT= 2.25        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000