R   LATTICE,NONEQUIV.ATOMS   2  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.470423  6.470423 50.210025 90.000000 90.000000120.000000                   
ATOM  -1: X=0.37795000 Y=0.37795000 Z=0.37795000
          MULT= 2          ISPLIT= 4
      -1: X=0.62205000 Y=0.62205000 Z=0.62205000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.10990000 Y=0.10990000 Z=0.10990000
          MULT= 2          ISPLIT= 4
      -2: X=0.89010000 Y=0.89010000 Z=0.89010000
Cl         NPT=  781  R0=.000100000 RMT= 2.35        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000