P   LATTICE,NONEQUIV.ATOMS   3   59 Pmmn                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.709473  7.472544 16.440617 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.66758000
          MULT= 2          ISPLIT= 8
      -1: X=0.75000000 Y=0.75000000 Z=0.33242000
Br         NPT=  781  R0=.000050000 RMT= 2.49        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  -2: X=0.25000000 Y=0.25000000 Z=0.03210000
          MULT= 2          ISPLIT= 8
      -2: X=0.75000000 Y=0.75000000 Z=0.96790000
O          NPT=  781  R0=.000100000 RMT= 1.86        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.75000000 Z=0.10659000
          MULT= 2          ISPLIT= 8
      -3: X=0.75000000 Y=0.25000000 Z=0.89341000
Sc         NPT=  781  R0=.000050000 RMT= 2.05        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000