F   LATTICE,NONEQUIV.ATOMS   6   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.668535 18.188803 37.694367 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 8
      -1: X=0.87500000 Y=0.87500000 Z=0.87500000
Bi         NPT=  781  R0=.000005000 RMT= 2.19        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.12500000 Y=0.12500000 Z=0.29440000
          MULT= 4          ISPLIT= 8
      -2: X=0.87500000 Y=0.87500000 Z=0.70560000
      -2: X=0.87500000 Y=0.37500000 Z=0.54440000
      -2: X=0.12500000 Y=0.12500000 Z=0.95560000
Ca         NPT=  781  R0=.000050000 RMT= 2.20        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12500000 Y=0.12500000 Z=0.62500000
          MULT= 2          ISPLIT= 8
      -3: X=0.87500000 Y=0.87500000 Z=0.37500000
Na         NPT=  781  R0=.000100000 RMT= 2.25        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.12500000 Y=0.12500000 Z=0.46204000
          MULT= 4          ISPLIT= 8
      -4: X=0.87500000 Y=0.87500000 Z=0.53796000
      -4: X=0.87500000 Y=0.37500000 Z=0.71204000
      -4: X=0.12500000 Y=0.12500000 Z=0.78796000
Na         NPT=  781  R0=.000100000 RMT= 2.25        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.12500000 Y=0.34490000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -5: X=0.87500000 Y=0.65510000 Z=0.87500000
      -5: X=0.37500000 Y=0.59490000 Z=0.87500000
      -5: X=0.12500000 Y=0.90510000 Z=0.12500000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.34870000 Y=0.12880000 Z=0.04863000
          MULT= 8          ISPLIT= 8
      -6: X=0.65130000 Y=0.87120000 Z=0.95137000
      -6: X=0.59870000 Y=0.37880000 Z=0.95137000
      -6: X=0.90130000 Y=0.12120000 Z=0.04863000
      -6: X=0.65130000 Y=0.37880000 Z=0.29863000
      -6: X=0.34870000 Y=0.12120000 Z=0.20137000
      -6: X=0.90130000 Y=0.12880000 Z=0.20137000
      -6: X=0.59870000 Y=0.87120000 Z=0.29863000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000