R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 27.416147 27.416147 18.910485 90.000000 90.000000120.000000                   
ATOM  -1: X=0.31225000 Y=0.77006000 Z=0.92018000
          MULT= 6          ISPLIT= 8
      -1: X=0.68775000 Y=0.22994000 Z=0.07982000
      -1: X=0.77006000 Y=0.92018000 Z=0.31225000
      -1: X=0.22994000 Y=0.07982000 Z=0.68775000
      -1: X=0.92018000 Y=0.31225000 Z=0.77006000
      -1: X=0.07982000 Y=0.68775000 Z=0.22994000
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  -2: X=0.37612000 Y=0.45130000 Z=0.14722000
          MULT= 6          ISPLIT= 8
      -2: X=0.62388000 Y=0.54870000 Z=0.85278000
      -2: X=0.45130000 Y=0.14722000 Z=0.37612000
      -2: X=0.54870000 Y=0.85278000 Z=0.62388000
      -2: X=0.14722000 Y=0.37612000 Z=0.45130000
      -2: X=0.85278000 Y=0.62388000 Z=0.54870000
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=0.27313000 Y=0.08946000 Z=0.02777000
          MULT= 6          ISPLIT= 8
      -3: X=0.72687000 Y=0.91054000 Z=0.97223000
      -3: X=0.08946000 Y=0.02777000 Z=0.27313000
      -3: X=0.91054000 Y=0.97223000 Z=0.72687000
      -3: X=0.02777000 Y=0.27313000 Z=0.08946000
      -3: X=0.97223000 Y=0.72687000 Z=0.91054000
Zr         NPT=  781  R0=.000010000 RMT= 2.34        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  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.91        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000