F   LATTICE,NONEQUIV.ATOMS   6   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.462366 17.939170 37.114221 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.46177000
          MULT= 4          ISPLIT= 8
      -1: X=0.87500000 Y=0.87500000 Z=0.53823000
      -1: X=0.87500000 Y=0.37500000 Z=0.71177000
      -1: X=0.12500000 Y=0.12500000 Z=0.78823000
Na         NPT=  781  R0=.000100000 RMT= 2.22        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  -2: X=0.12500000 Y=0.12500000 Z=0.62500000
          MULT= 2          ISPLIT= 8
      -2: X=0.87500000 Y=0.87500000 Z=0.37500000
Na         NPT=  781  R0=.000100000 RMT= 2.22        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  -3: X=0.12500000 Y=0.12500000 Z=0.29439000
          MULT= 4          ISPLIT= 8
      -3: X=0.87500000 Y=0.87500000 Z=0.70561000
      -3: X=0.87500000 Y=0.37500000 Z=0.54439000
      -3: X=0.12500000 Y=0.12500000 Z=0.95561000
Ca         NPT=  781  R0=.000050000 RMT= 2.17        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  -4: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 8
      -4: X=0.87500000 Y=0.87500000 Z=0.87500000
Ta         NPT=  781  R0=.000005000 RMT= 2.03        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.34070000 Y=0.12870000 Z=0.05153000
          MULT= 8          ISPLIT= 8
      -5: X=0.65930000 Y=0.87130000 Z=0.94847000
      -5: X=0.59070000 Y=0.37870000 Z=0.94847000
      -5: X=0.90930000 Y=0.12130000 Z=0.05153000
      -5: X=0.65930000 Y=0.37870000 Z=0.30153000
      -5: X=0.34070000 Y=0.12130000 Z=0.19847000
      -5: X=0.90930000 Y=0.12870000 Z=0.19847000
      -5: X=0.59070000 Y=0.87130000 Z=0.30153000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.12500000 Y=0.33690000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -6: X=0.87500000 Y=0.66310000 Z=0.87500000
      -6: X=0.37500000 Y=0.58690000 Z=0.87500000
      -6: X=0.12500000 Y=0.91310000 Z=0.12500000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000