pan class="o">=</span><span class="kc">None</span><span class="p">,</span>
            <span class="n">masses</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span>
            <span class="n">magmoms</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span>
            <span class="n">charges</span><span class="o">=</span><span class="kc">None</span><span class="p">,</span>
            <span class="n">scaled_positions</span><span class="o">=</span><span 