B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
  8.866595  8.866595 19.583232 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.75000000 Z=0.37500000
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=0.00000000 Y=0.25000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.75000000 Z=0.87500000
Si         NPT=  781  R0=.000100000 RMT= 1.37        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.15658000 Y=0.00854000 Z=0.20289000
          MULT= 8          ISPLIT= 8
      -3: X=0.84342000 Y=0.99146000 Z=0.79711000
      -3: X=0.24146000 Y=0.90658000 Z=0.95289000
      -3: X=0.25854000 Y=0.59342000 Z=0.54711000
      -3: X=0.84342000 Y=0.49146000 Z=0.20289000
      -3: X=0.15658000 Y=0.50854000 Z=0.79711000
      -3: X=0.25854000 Y=0.09342000 Z=0.45289000
      -3: X=0.24146000 Y=0.40658000 Z=0.04711000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000