">&quot;types&quot;</span><span class="p">,</span>
        <span class="s2">&quot;elements&quot;</span><span class="p">,</span>
        <span class="s2">&quot;positions&quot;</span><span class="p">,</span>
        <span class="s2">&quot;scell&quot;</span><span class="p">,</span>
    <span class="p">]</span>
    <span class="n">allocations_keys</span> <span class="o">=</span> <span class="p">[</span><span class="s2">&quot;nelements&quot;</span><span class="p">,</span> <span class="s2">&quot;natoms&quot;</spa