B   LATTICE,NONEQUIV.ATOMS   4   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 21.426093 21.426093 10.632544 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.08350000 Y=0.10430000 Z=0.28690000
          MULT= 4          ISPLIT= 8
      -1: X=0.10430000 Y=0.91650000 Z=0.71310000
      -1: X=0.91650000 Y=0.89570000 Z=0.28690000
      -1: X=0.89570000 Y=0.08350000 Z=0.71310000
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=0.14260000 Y=0.48160000 Z=0.01830000
          MULT= 4          ISPLIT= 8
      -2: X=0.48160000 Y=0.85740000 Z=0.98170000
      -2: X=0.85740000 Y=0.51840000 Z=0.01830000
      -2: X=0.51840000 Y=0.14260000 Z=0.98170000
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=0.31420000 Y=0.28250000 Z=0.23370000
          MULT= 4          ISPLIT= 8
      -3: X=0.28250000 Y=0.68580000 Z=0.76630000
      -3: X=0.68580000 Y=0.71750000 Z=0.23370000
      -3: X=0.71750000 Y=0.31420000 Z=0.76630000
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=0.28860000 Y=0.03220000 Z=0.02490000
          MULT= 4          ISPLIT= 8
      -4: X=0.03220000 Y=0.71140000 Z=0.97510000
      -4: X=0.71140000 Y=0.96780000 Z=0.02490000
      -4: X=0.96780000 Y=0.28860000 Z=0.97510000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000