R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.742543  6.742543 51.820069 90.000000 90.000000120.000000                   
ATOM  -1: X=0.21500000 Y=0.21500000 Z=0.21500000
          MULT= 2          ISPLIT= 4
      -1: X=0.78500000 Y=0.78500000 Z=0.78500000
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=0.13600000 Y=0.13600000 Z=0.13600000
          MULT= 2          ISPLIT= 4
      -2: X=0.86400000 Y=0.86400000 Z=0.86400000
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=0.38700000 Y=0.38700000 Z=0.38700000
          MULT= 2          ISPLIT= 4
      -3: X=0.61300000 Y=0.61300000 Z=0.61300000
Cl         NPT=  781  R0=.000100000 RMT= 2.43        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000