P   LATTICE,NONEQUIV.ATOMS   4   86 P42/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.407908 20.407908 10.120050 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14100000 Y=0.66530000 Z=0.21220000
          MULT= 8          ISPLIT= 8
      -1: X=0.85900000 Y=0.33470000 Z=0.78780000
      -1: X=0.33470000 Y=0.64100000 Z=0.71220000
      -1: X=0.66530000 Y=0.35900000 Z=0.28780000
      -1: X=0.35900000 Y=0.83470000 Z=0.21220000
      -1: X=0.64100000 Y=0.16530000 Z=0.78780000
      -1: X=0.16530000 Y=0.85900000 Z=0.71220000
      -1: X=0.83470000 Y=0.14100000 Z=0.28780000
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=0.11200000 Y=0.22140000 Z=0.52810000
          MULT= 8          ISPLIT= 8
      -2: X=0.88800000 Y=0.77860000 Z=0.47190000
      -2: X=0.77860000 Y=0.61200000 Z=0.02810000
      -2: X=0.22140000 Y=0.38800000 Z=0.97190000
      -2: X=0.38800000 Y=0.27860000 Z=0.52810000
      -2: X=0.61200000 Y=0.72140000 Z=0.47190000
      -2: X=0.72140000 Y=0.88800000 Z=0.02810000
      -2: X=0.27860000 Y=0.11200000 Z=0.97190000
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=0.53460000 Y=0.07190000 Z=0.26420000
          MULT= 8          ISPLIT= 8
      -3: X=0.46540000 Y=0.92810000 Z=0.73580000
      -3: X=0.92810000 Y=0.03460000 Z=0.76420000
      -3: X=0.07190000 Y=0.96540000 Z=0.23580000
      -3: X=0.96540000 Y=0.42810000 Z=0.26420000
      -3: X=0.03460000 Y=0.57190000 Z=0.73580000
      -3: X=0.57190000 Y=0.46540000 Z=0.76420000
      -3: X=0.42810000 Y=0.53460000 Z=0.23580000
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=0.04240000 Y=0.20850000 Z=0.03470000
          MULT= 8          ISPLIT= 8
      -4: X=0.95760000 Y=0.79150000 Z=0.96530000
      -4: X=0.79150000 Y=0.54240000 Z=0.53470000
      -4: X=0.20850000 Y=0.45760000 Z=0.46530000
      -4: X=0.45760000 Y=0.29150000 Z=0.03470000
      -4: X=0.54240000 Y=0.70850000 Z=0.96530000
      -4: X=0.70850000 Y=0.95760000 Z=0.53470000
      -4: X=0.29150000 Y=0.04240000 Z=0.46530000
P          NPT=  781  R0=.000100000 RMT= 2.26        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000