Example of input file for xnd (neutron data)
xnd_2.lst
# data file to be used with xnd 1.10...
# atomic position x and y have been inverted after 1.14 with respect to ITC
 4
# tables to be read (sym, anomal, scat )
 0 0 0
# experiment, phase
 1 1
 0.300 0.500 0.85
 # method, background
 0 0 
 # profile, assymetry code
 0 2
 # expansion order, valid ref
 2 0
 3 0 0
 2 xnd_2.new
 1 xnd_2.hkl
 1 xnd_2.plg
 0 0 0 

#if needed symetry group and diffusion factor can be read here
#
# description of the experiments
# on set of blocks foreach experiment

 1  0  1  11  1  8  250.000
 ILL P V PB O  ( X=0.75, P=1 BAR )
 250.000 5399  xnd_2.dat

# the wavelength block
 1
        1.596   0         1    0
            0   0      0.25    1

# background
 1
   12.000              65   0
   22.000              61   0
   23.000              68   0
   26.000              76   0
   38.000              69   0
   80.000              99   0
  140.000             112   0
  157.000             130   0

# alignement characteristics
 1
     0.3134    1       0   0
        0.6    1       0   0

# intrumental width
1
            0   0     0.413967   1
            0   0            0   0

# intrumental assym, these are strongly correlated with the zero 
1
         0.5   1       -0.1   1
           0   0        0.1   1
       -0.05   1          0   0

# description of phases
# one set of block for each phase

 0  0 250.000
 PV-PB   X=0.75

# scale factor block
1
     0.001305   1
            0   0
R-3MH
 1  0  6  0 0 0

# cell parameters block
 1
            0   0
      5.595   11 1.000000
      5.595   11 1.000000
      20.35   1
           90   0
           90   0
          120   0

# prefered orientation definition
 1
# prefered orientation block

 1
         -0.45  1
            0   0
            0   0
# if required line width and assym

# one block for each atom
# atomic position x and y have been inverted after 1.14 with respect to ITC

 PB1 PB 1
 1
            0   0
            0   0
            0   0
          0.5   0
         0.03   14 1.000000
         0.03   14 1.000000
        0.001   1
            0   0 
            0   0
            0   0


 PB2 PB 1
 1
            0   0
            0   0
        0.211   1
            1   0
         0.08   15 1.000000
         0.08   15 1.000000
        0.001   1
            0   0
            0   0
            0   0


 P P 1
 1
            0   0
            0   0
        0.402   13 1.000000
         0.75   0
         0.01   16 1.000000
         0.01   16 1.000000
        0.001   17 1.000000
            0   0
            0   0
            0   0


 V V 1
 1
            0   0
            0   0
        0.402   13 1.000000
         0.25   0
         0.01   16 1.000000
         0.01   16 1.000000
        0.001   17 1.000000
            0   0
            0   0
            0   0


 OX1 O 1
 1
            0   0
            0   0
        0.325   1
            1   0
         0.04   19 1.000000
         0.04   19 1.000000
        0.001   1
            0   0
            0   0
            0   0


 OX2 O 1
 1
        0.153   12 1.000000
       -0.153   12 -1.000000
        0.427   1
            3   0
         0.03   20 1.000000
         0.03   20 1.000000
        0.001   1
          0.0   1
            0   0
            0   0

# end of the phase
# refinement parameter
 0.01 12
# 10964   Minimized sum of previous demo for xnd_2.k