COMM  Fluorite - IUCr CPD Round Robin,  et.al- Philips XRD                
! Files => DAT-file: fl-phil,  PCR-file: fl-phil
!Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor
   0   5   1  10   2   0   1   1   0   0   1   0   0   1   0   0   0
!
!Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 Syo Prf Ins Rpa Sym Hkl Fou Sho Ana
   0   0   1   0   1   0   0   0   1   1   0   1   0   1   2   0   0
!
! lambda1 Lambda2    Ratio   Bkpos    Wdt    Cthm     muR   AsyLim   Rpolarz
 1.540560 1.544390  0.5000 90.0000 12.0000  0.7998  0.0000   90.00    0.5000
!
!NCY Eps R_at R_an R_pr R_gl     Thmin       Step       Thmax    PSD    Sent0
 20 0.01 0.20 0.60 0.60 0.60      5.0000     0.0200   150.0000  0.000  0.000
!
!  2Theta/TOF   Background
        5.000      135.329
        9.062       73.022
       16.484       30.494
       25.078       21.593
       37.187       14.670
       63.359        8.736
       83.085       11.703
      120.390       11.703
      131.267       13.956
      150.000       15.934
! 
! Excluded regions (LowT  HighT)
        5.00       10.00
      141.00      142.00
! 
!
      11    !Number of refined parameters
!
!  Zero    Code    Sycos    Code   Sysin    Code  Lambda     Code MORE
 -0.0138   11.00  0.0000    0.00  0.0000    0.00 0.000000    0.00   0
!-------------------------------------------------------------------------------
!  Data for PHASE number:   1  ==> Current R_Bragg:     1.97
!-------------------------------------------------------------------------------
 Fluorite                                                             
!
!Nat Dis Mom Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth     ATZ   Nvk Npr More
   2   0   0 1.0 0.0 0.0   0   0   0   0   0        0.00   0   5   0
!
F M 3 M            <     <--Space group symbol
!Atom Typ       X        Y        Z     Biso      Occ     In Fin N_t  /Codes
CA   CA+2    0.00000  0.00000  0.00000  0.57512  0.02083   0   0   0
                0.00     0.00     0.00   101.00     0.00
F    F-1     0.25000  0.25000  0.25000  0.75728  0.04167   0   0   0
                0.00     0.00     0.00   111.00     0.00
!  Scale       Shape1      Bov     Str1     Str2     Str3    Strain-Model
 0.27678E-02   0.5163   0.0000   0.0000   0.0000   0.0000       0
    21.00000    51.00     0.00     0.00     0.00     0.00
!      U        V         W          X         Y       GauSiz   LorSiz Size-Model
   0.02067  -0.00707   0.01245   0.00000   0.00000   0.00000   0.00000   0
     71.00     61.00     41.00      0.00      0.00      0.00      0.00
!     a          b         c        alpha      beta       gamma
   5.462360   5.462360   5.462360  90.000000  90.000000  90.000000
   31.00000   31.00000   31.00000    0.00000    0.00000    0.00000
!  Pref1  Pref2   Asy1    Asy2    Asy3     Asy4
 1.00000 0.00000 0.05716 0.04209 0.00000 0.00000
    0.00    0.00   81.00   91.00    0.00    0.00
! Hard limits for selected parameters:
   1     -0.2000      0.2000