R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.026002  7.026002 59.301495 90.000000 90.000000120.000000                   
ATOM  -1: X=0.20740000 Y=0.20740000 Z=0.20740000
          MULT= 2          ISPLIT= 4
      -1: X=0.79260000 Y=0.79260000 Z=0.79260000
Zr         NPT=  781  R0=.000010000 RMT= 2.16        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=0.38952000 Y=0.38952000 Z=0.38952000
          MULT= 2          ISPLIT= 4
      -2: X=0.61048000 Y=0.61048000 Z=0.61048000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.13930000 Y=0.13930000 Z=0.13930000
          MULT= 2          ISPLIT= 4
      -3: X=0.86070000 Y=0.86070000 Z=0.86070000
N          NPT=  781  R0=.000100000 RMT= 1.86        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000