[ase-users] Bug or my misunderstanding?

[roberto.derenzi]

First of all pardon me if this is just a user error.
I am just trying out ASE, which sound as a great idea, to see if I can 
use it, as an experimentalist, for very simple minded projects. I am 
therefore a self taught beginner.

I am trying to build crystal structures and to check if they are correct 
with the visualize.view command. I tried out magnetite (above the Verwey 
transition) as follows


import ase
from ase.lattice.spacegroup import crystal
a = 8.3940
cx=crystal(['Fe','Fe','O'],[(0.12500,  0.12500,  0.12500), (0.5, 0.5, 
0.5), (0.25480,  0.25480,  0.25480)],spacegroup=227, cellpar=[a, a, a, 
90, 90, 90])
ase.visualize.view(cx)

As I understand from the skutterudite example, the second input needs 
not be a complete basis, since a representative scaled position per each 
inequivalent atom is enough.
However the above code does not work: oxygen atoms are certainly wrong.

Where do I go wrong?
Thanks a lot

Roberto
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