P   LATTICE,NONEQUIV.ATOMS   4   84 P42/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.627150 12.627150 17.931611 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
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=0.05800000 Y=0.65500000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.94200000 Y=0.34500000 Z=0.00000000
      -2: X=0.34500000 Y=0.05800000 Z=0.50000000
      -2: X=0.65500000 Y=0.94200000 Z=0.50000000
P          NPT=  781  R0=.000100000 RMT= 1.84        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.18250000 Y=0.16070000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.81750000 Y=0.83930000 Z=0.00000000
      -3: X=0.83930000 Y=0.18250000 Z=0.50000000
      -3: X=0.16070000 Y=0.81750000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 1.93        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.30910000 Y=0.21360000 Z=0.32090000
          MULT= 8          ISPLIT= 8
      -4: X=0.69090000 Y=0.78640000 Z=0.67910000
      -4: X=0.78640000 Y=0.30910000 Z=0.82090000
      -4: X=0.21360000 Y=0.69090000 Z=0.17910000
      -4: X=0.69090000 Y=0.78640000 Z=0.32090000
      -4: X=0.30910000 Y=0.21360000 Z=0.67910000
      -4: X=0.21360000 Y=0.69090000 Z=0.82090000
      -4: X=0.78640000 Y=0.30910000 Z=0.17910000
S          NPT=  781  R0=.000100000 RMT= 1.93        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000