span class="n">calculator</span><span class="p">,</span>
            <span class="n">info</span><span class="p">)</span>

        <span class="bp">self</span><span class="o">.</span><span class="n">wyckoff_positions</span> <span class="o">=</span> <span class="n">wyckoff_positions</span>
        <span class="bp">self</span><span class="o">.</span><span class="n">equivalent_atoms</span> <span class="o">=</span> <span class="n">equivalent_atoms</span>
        <span class="bp">self</span><span class="o">.</spa