B   LATTICE,NONEQUIV.ATOMS   4   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 21.448392 21.448392 10.714747 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.08300000 Y=0.10200000 Z=0.28600000
          MULT= 4          ISPLIT= 8
      -1: X=0.10200000 Y=0.91700000 Z=0.71400000
      -1: X=0.91700000 Y=0.89800000 Z=0.28600000
      -1: X=0.89800000 Y=0.08300000 Z=0.71400000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.14100000 Y=0.48000000 Z=0.01800000
          MULT= 4          ISPLIT= 8
      -2: X=0.48000000 Y=0.85900000 Z=0.98200000
      -2: X=0.85900000 Y=0.52000000 Z=0.01800000
      -2: X=0.52000000 Y=0.14100000 Z=0.98200000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     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  -3: X=0.31600000 Y=0.28200000 Z=0.23600000
          MULT= 4          ISPLIT= 8
      -3: X=0.28200000 Y=0.68400000 Z=0.76400000
      -3: X=0.68400000 Y=0.71800000 Z=0.23600000
      -3: X=0.71800000 Y=0.31600000 Z=0.76400000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.29000000 Y=0.03100000 Z=0.02700000
          MULT= 4          ISPLIT= 8
      -4: X=0.03100000 Y=0.71000000 Z=0.97300000
      -4: X=0.71000000 Y=0.96900000 Z=0.02700000
      -4: X=0.96900000 Y=0.29000000 Z=0.97300000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000