P   LATTICE,NONEQUIV.ATOMS   3   29 Pca21                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.939959  9.577132  9.594140 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.53000000 Y=0.26700000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.47000000 Y=0.73300000 Z=0.75000000
      -1: X=0.97000000 Y=0.26700000 Z=0.75000000
      -1: X=0.03000000 Y=0.73300000 Z=0.25000000
Zr         NPT=  781  R0=.000010000 RMT= 2.02        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=0.86100000 Y=0.06800000 Z=0.10600000
          MULT= 4          ISPLIT= 8
      -2: X=0.13900000 Y=0.93200000 Z=0.60600000
      -2: X=0.63900000 Y=0.06800000 Z=0.60600000
      -2: X=0.36100000 Y=0.93200000 Z=0.10600000
O          NPT=  781  R0=.000100000 RMT= 1.83        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.22900000 Y=0.46300000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.77100000 Y=0.53700000 Z=0.50000000
      -3: X=0.27100000 Y=0.46300000 Z=0.50000000
      -3: X=0.72900000 Y=0.53700000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.83        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000