COMM  GaOOH                                                                         
! Files => DAT-file: gaooh1-2,  PCR-file: gaooh1-2
!Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
   0   5   1   0   2   0   1   1   0   0   1   0   0   0   0   0   0   0   0
!
!Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 Syo Prf Ins Rpa Sym Hkl Fou Sho Ana
   0   0   1   1   1   0   0   0   1   1   0   1   1   1   2   0   0
!
! lambda1 Lambda2    Ratio   Bkpos    Wdt    Cthm     muR   AsyLim   Rpolarz ->Patt# 1
 1.540560 1.544390  0.5000 90.0000 30.0000  0.0000  0.0000   80.00    0.0000
!
!NCY  Eps  R_at  R_an  R_pr  R_gl     Thmin       Step       Thmax    PSD    Sent0
  8  0.01  0.80  0.80  0.80  0.80      5.0100     0.0200   150.0100   0.000   0.000
!
! Excluded regions (LowT  HighT) for Pattern#  1
        1.00        5.00
      150.00      170.00
! 
!
      26    !Number of refined parameters
!
!  Zero    Code    Sycos    Code   Sysin    Code  Lambda     Code MORE ->Patt# 1
  0.0096   11.00  0.0000    0.00  0.0000    0.00 0.000000    0.00   0
!   Background coefficients/codes  for Pattern#  1
  174.20     -123.64      485.51      719.39     -868.47     -1523.5    
     211.000     221.000     231.000     241.000     251.000     261.000
!-------------------------------------------------------------------------------
!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:     1.24
!-------------------------------------------------------------------------------
  GaOOH                                                                         
!
!Nat Dis Mom Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth     ATZ   Nvk Npr More
   4   0   0 1.0 0.0 0.0   0   0   0   0   0        0.00   0   5   0
!
P B N M                  <--Space group symbol
!Atom Typ       X        Y        Z     Biso      Occ     In Fin N_t Poi /Codes
GA   GA      0.05127 -0.14471  0.25000  0.60185  0.04000   0   0   0    0
              121.00   131.00     0.00   141.00     0.00
O1   O       0.70144  0.19527  0.25000  1.22101  0.04000   0   0   0    0
              151.00   161.00     0.00   171.00     0.00
O2   O       0.19413  0.05437  0.25000  1.28575  0.04000   0   0   0    0
              181.00   191.00     0.00   201.00     0.00
H    H       0.40350  0.08690  0.25000  2.00000  0.04000   0   0   0    0
                0.00     0.00     0.00     0.00     0.00
!-------> Profile Parameters for Pattern #  1
!  Scale       Shape1      Bov     Str1     Str2     Str3    Strain-Model
  1.0006       0.5575   0.0000   0.0000   0.0000   0.0000       0
    21.00000    31.00     0.00     0.00     0.00     0.00
!      U        V         W          X         Y       GauSiz   LorSiz Size-Model
   0.01594   0.00140   0.00647   0.00000   0.00000   0.00000   0.00000   0
     61.00     51.00     41.00      0.00      0.00      0.00      0.00
!     a          b         c        alpha      beta       gamma
   4.516028   9.778978   2.965981  90.000000  90.000000  90.000000
   71.00000   81.00000   91.00000    0.00000    0.00000    0.00000
!  Pref1  Pref2   Asy1    Asy2    Asy3     Asy4
 1.00000 0.00000 0.00998 0.00263 0.00000 0.00000
    0.00    0.00  101.00  111.00    0.00    0.00