P   LATTICE,NONEQUIV.ATOMS   3   59 Pmmn                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.767109  7.778113 16.442507 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.75000000 Z=0.09500000
          MULT= 2          ISPLIT= 8
      -1: X=0.75000000 Y=0.25000000 Z=0.90500000
Zr         NPT=  781  R0=.000010000 RMT= 2.14        Z:  40.00000              
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=0.03500000
          MULT= 2          ISPLIT= 8
      -2: X=0.75000000 Y=0.75000000 Z=0.96500000
N          NPT=  781  R0=.000100000 RMT= 1.84        Z:   7.00000              
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=0.25000000 Z=0.65000000
          MULT= 2          ISPLIT= 8
      -3: X=0.75000000 Y=0.75000000 Z=0.35000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000