F   LATTICE,NONEQUIV.ATOMS   8   43 Fdd2                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.027782 24.324744 41.199809 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.12467000
          MULT= 2          ISPLIT= 8
      -1: X=0.25000000 Y=0.25000000 Z=0.37467000
Zr         NPT=  781  R0=.000010000 RMT= 2.42        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=0.00880000 Y=0.28099000 Z=0.04408000
          MULT= 4          ISPLIT= 8
      -2: X=0.99120000 Y=0.71901000 Z=0.04408000
      -2: X=0.24120000 Y=0.53099000 Z=0.29408000
      -2: X=0.25880000 Y=0.96901000 Z=0.29408000
Se         NPT=  781  R0=.000050000 RMT= 2.11        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12043000 Y=0.07926000 Z=0.04436000
          MULT= 4          ISPLIT= 8
      -3: X=0.87957000 Y=0.92074000 Z=0.04436000
      -3: X=0.12957000 Y=0.32926000 Z=0.29436000
      -3: X=0.37043000 Y=0.17074000 Z=0.29436000
Cl         NPT=  781  R0=.000100000 RMT= 1.91        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.13074000 Y=0.09131000 Z=0.37623000
          MULT= 4          ISPLIT= 8
      -4: X=0.86926000 Y=0.90869000 Z=0.37623000
      -4: X=0.11926000 Y=0.34131000 Z=0.62623000
      -4: X=0.38074000 Y=0.15869000 Z=0.62623000
Cl         NPT=  781  R0=.000100000 RMT= 1.91        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.12637000 Y=0.07764000 Z=0.20226000
          MULT= 4          ISPLIT= 8
      -5: X=0.87363000 Y=0.92236000 Z=0.20226000
      -5: X=0.12363000 Y=0.32764000 Z=0.45226000
      -5: X=0.37637000 Y=0.17236000 Z=0.45226000
Cl         NPT=  781  R0=.000100000 RMT= 1.91        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.11175000 Y=0.33361000 Z=0.11979000
          MULT= 4          ISPLIT= 8
      -6: X=0.88825000 Y=0.66639000 Z=0.11979000
      -6: X=0.13825000 Y=0.58361000 Z=0.36979000
      -6: X=0.36175000 Y=0.91639000 Z=0.36979000
Cl         NPT=  781  R0=.000100000 RMT= 1.91        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.11833000 Y=0.09909000 Z=0.54756000
          MULT= 4          ISPLIT= 8
      -7: X=0.88167000 Y=0.90091000 Z=0.54756000
      -7: X=0.13167000 Y=0.34909000 Z=0.79756000
      -7: X=0.36833000 Y=0.15091000 Z=0.79756000
Cl         NPT=  781  R0=.000100000 RMT= 1.91        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.13552000 Y=0.59393000 Z=0.22216000
          MULT= 4          ISPLIT= 8
      -8: X=0.86448000 Y=0.40607000 Z=0.22216000
      -8: X=0.11448000 Y=0.84393000 Z=0.47216000
      -8: X=0.38552000 Y=0.65607000 Z=0.47216000
Cl         NPT=  781  R0=.000100000 RMT= 1.91        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000