                                         <span class="stringliteral">&#39;MO5&#39;</span>,  <span class="comment"># magnesium ion, 5 waters coordinated</span></div><div class="line"><a name="l00083"></a><span class="lineno">   83</span>&#160;                                              <span class="stringliteral">&#39;MO4&#39;</span>,  <span class="comment"># magnesium ion, 4 waters coordinated</span></div><div class="line"><a name="l00084"></a><span class="lineno">   84</span>&#160;                       