[Ifeffit] atoms crashes

[Jesús Eduardo Vega Castillo]

Hello everyone,

I have manually introduced the crystal structure of La4Fe3O10 into Atoms
 and generated and .inp file. The structure contains 2 sites of La, 2 sites
of Fe and 4 sites of O.
When I try to run Atoms from this file it crashes.

This is the inp file:

## This Atoms file was generated by Demeter 0.9.24
## Demeter written by and copyright (c) Bruce Ravel, 2006-2015

title = La4Fe3O10 (LSFC)
space = I 4/m m m
a     =   3.83900    b    =   3.83900    c     =  27.87050
alpha =  90.00000    beta =  90.00000    gamma =  90.00000
rmax  =   5.00000    core  = Fe1
# polarization = 0.0  0.0  0.0
shift =     0.00000    0.00000    0.00000
atoms
# el.     x           y           z        tag
  La     0.00000     0.00000     0.56860   La1
  La     0.00000     0.00000     0.70130   La2
  Fe     0.00000     0.00000     0.00000   Fe1
  Fe     0.00000     0.00000     0.13840   Fe2
  O      0.00000     0.50000     0.13810   O1
  O      0.00000     0.00000     0.06980   O2
  O      0.00000     0.00000     0.21050   O3
  O      0.00000     0.50000     0.00000   O4

Any help would be appreciated.

Yours,

Jesús
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