H   LATTICE,NONEQUIV.ATOMS   2  193 P63/mcm                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.713133 12.713133 11.903763 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.32120000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.67880000 Y=0.00000000 Z=0.75000000
      -2: X=0.32120000 Y=0.32120000 Z=0.75000000
      -2: X=0.67880000 Y=0.67880000 Z=0.25000000
      -2: X=0.00000000 Y=0.32120000 Z=0.25000000
      -2: X=0.00000000 Y=0.67880000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000