R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 24.515418 24.515418 16.595572 90.000000 90.000000120.000000                   
ATOM  -1: X=0.30800000 Y=0.03300000 Z=0.10600000
          MULT= 6          ISPLIT= 8
      -1: X=0.69200000 Y=0.96700000 Z=0.89400000
      -1: X=0.03300000 Y=0.10600000 Z=0.30800000
      -1: X=0.96700000 Y=0.89400000 Z=0.69200000
      -1: X=0.10600000 Y=0.30800000 Z=0.03300000
      -1: X=0.89400000 Y=0.69200000 Z=0.96700000
Zr         NPT=  781  R0=.000010000 RMT= 2.48        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=0.45900000 Y=0.37900000 Z=0.15800000
          MULT= 6          ISPLIT= 8
      -2: X=0.54100000 Y=0.62100000 Z=0.84200000
      -2: X=0.37900000 Y=0.15800000 Z=0.45900000
      -2: X=0.62100000 Y=0.84200000 Z=0.54100000
      -2: X=0.15800000 Y=0.45900000 Z=0.37900000
      -2: X=0.84200000 Y=0.54100000 Z=0.62100000
Cl         NPT=  781  R0=.000100000 RMT= 2.25        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.08200000 Y=0.22800000 Z=0.69000000
          MULT= 6          ISPLIT= 8
      -3: X=0.91800000 Y=0.77200000 Z=0.31000000
      -3: X=0.22800000 Y=0.69000000 Z=0.08200000
      -3: X=0.77200000 Y=0.31000000 Z=0.91800000
      -3: X=0.69000000 Y=0.08200000 Z=0.22800000
      -3: X=0.31000000 Y=0.91800000 Z=0.77200000
Cl         NPT=  781  R0=.000100000 RMT= 2.25        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000