B   LATTICE,NONEQUIV.ATOMS   5   71 Immm                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.133716 19.653719 24.575510 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.14162000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.85838000 Z=0.50000000
W          NPT=  781  R0=.000005000 RMT= 1.91        Z:  74.00000              
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=0.00000000 Z=0.34115000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.00000000 Z=0.65885000
Br         NPT=  781  R0=.000050000 RMT= 2.32        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=0.00000000 Y=0.32259000 Z=0.36944000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.67741000 Z=0.63056000
      -3: X=0.00000000 Y=0.32259000 Z=0.63056000
      -3: X=0.00000000 Y=0.67741000 Z=0.36944000
Br         NPT=  781  R0=.000050000 RMT= 2.32        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  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.36240000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.63760000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000