CXY LATTICE,NONEQUIV.ATOMS   5   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.135821 13.691066 14.826791 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.17070000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.82930000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 1.62        Z:  35.00000              
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=0.35300000 Z=0.11800000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.64700000 Z=0.61800000
F          NPT=  781  R0=.000100000 RMT= 1.54        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=0.00000000 Y=0.35500000 Z=0.40500000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.64500000 Z=0.90500000
F          NPT=  781  R0=.000100000 RMT= 1.54        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  -4: X=0.00000000 Y=0.02800000 Z=0.05900000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.97200000 Z=0.55900000
F          NPT=  781  R0=.000100000 RMT= 1.54        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  -5: X=0.27100000 Y=0.18600000 Z=0.23900000
          MULT= 4          ISPLIT= 8
      -5: X=0.72900000 Y=0.81400000 Z=0.73900000
      -5: X=0.72900000 Y=0.18600000 Z=0.23900000
      -5: X=0.27100000 Y=0.81400000 Z=0.73900000
F          NPT=  781  R0=.000100000 RMT= 1.54        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000