F   LATTICE,NONEQUIV.ATOMS   8   43 Fdd2                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.803660 23.956058 40.580357 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.12487000
          MULT= 2          ISPLIT= 8
      -1: X=0.25000000 Y=0.25000000 Z=0.37487000
Mo         NPT=  781  R0=.000010000 RMT= 2.32        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00850000 Y=0.27918000 Z=0.04410000
          MULT= 4          ISPLIT= 8
      -2: X=0.99150000 Y=0.72082000 Z=0.04410000
      -2: X=0.24150000 Y=0.52918000 Z=0.29410000
      -2: X=0.25850000 Y=0.97082000 Z=0.29410000
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=0.11888000 Y=0.07352000 Z=0.04565000
          MULT= 4          ISPLIT= 8
      -3: X=0.88112000 Y=0.92648000 Z=0.04565000
      -3: X=0.13112000 Y=0.32352000 Z=0.29565000
      -3: X=0.36888000 Y=0.17648000 Z=0.29565000
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=0.13269000 Y=0.09355000 Z=0.37618000
          MULT= 4          ISPLIT= 8
      -4: X=0.86731000 Y=0.90645000 Z=0.37618000
      -4: X=0.11731000 Y=0.34355000 Z=0.62618000
      -4: X=0.38269000 Y=0.15645000 Z=0.62618000
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=0.12091000 Y=0.07765000 Z=0.20026000
          MULT= 4          ISPLIT= 8
      -5: X=0.87909000 Y=0.92235000 Z=0.20026000
      -5: X=0.12909000 Y=0.32765000 Z=0.45026000
      -5: X=0.37091000 Y=0.17235000 Z=0.45026000
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=0.11338000 Y=0.33273000 Z=0.12072000
          MULT= 4          ISPLIT= 8
      -6: X=0.88662000 Y=0.66727000 Z=0.12072000
      -6: X=0.13662000 Y=0.58273000 Z=0.37072000
      -6: X=0.36338000 Y=0.91727000 Z=0.37072000
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=0.12004000 Y=0.09936000 Z=0.54810000
          MULT= 4          ISPLIT= 8
      -7: X=0.87996000 Y=0.90064000 Z=0.54810000
      -7: X=0.12996000 Y=0.34936000 Z=0.79810000
      -7: X=0.37004000 Y=0.15064000 Z=0.79810000
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=0.13317000 Y=0.59372000 Z=0.22108000
          MULT= 4          ISPLIT= 8
      -8: X=0.86683000 Y=0.40628000 Z=0.22108000
      -8: X=0.11683000 Y=0.84372000 Z=0.47108000
      -8: X=0.38317000 Y=0.65628000 Z=0.47108000
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