COMM  Y2O3 - IUCr CPD Round Robin,  et.al- Philips XRD                    
! Files => DAT-file: y2o3ph,  PCR-file: y2o3ph
!Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor
   0   5   1  11   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
 10 0.01 0.20 0.60 0.60 0.60      5.0000     0.0200   150.0000  0.000  0.000
!
!  2Theta/TOF   Background
        5.058      470.769
        9.634      243.517
       14.656      156.484
       18.228      122.637
       23.696       98.462
       45.013       79.121
       67.893       64.615
       88.278       87.912
      111.883       87.912
      130.340      105.495
      149.676      130.110
! 
! Excluded regions (LowT  HighT)
       15.00       16.00
       23.00       24.00
! 
!
      16    !Number of refined parameters
!
!  Zero    Code    Sycos    Code   Sysin    Code  Lambda     Code MORE
  0.0154   11.00  0.0000    0.00  0.0000    0.00 0.000000    0.00   0
!-------------------------------------------------------------------------------
!  Data for PHASE number:   1  ==> Current R_Bragg:     2.21
!-------------------------------------------------------------------------------
 Y2O3                                                                 
!
!Nat Dis Mom Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth     ATZ   Nvk Npr More
   3   0   0 1.0 0.0 0.0   0   0   0   0   0        0.00   0   5   0
!
I A 3            <       <--Space group symbol
!Atom Typ       X        Y        Z     Biso      Occ     In Fin N_t  /Codes
Y    Y+3     0.25000  0.25000  0.25000  0.52803  0.16667   0   0   0
                0.00     0.00     0.00   111.00     0.00
Y    Y+3     0.46752  0.00000  0.25000  0.46749  0.50000   0   0   0
              101.00     0.00     0.00   121.00     0.00
O    O-2     0.10877  0.34827  0.11882  0.85201  1.00000   0   0   0
              131.00   141.00   151.00   161.00     0.00
!  Scale       Shape1      Bov     Str1     Str2     Str3    Strain-Model
 0.10195E-03   0.5452   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
   0.00764  -0.00466   0.01173   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
  10.602352  10.602352  10.602352  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 0.11497 0.04476 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