1<?xml version="1.0" encoding="utf-8"?>
2<list xmlns="http://www.xml-cml.org/schema"
3      xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
4      xmlns:bo="http://www.blueobelisk.org/dict/terminology"
5      xmlns:boUnits="http://www.blueobelisk.org/dict/units"
6      xmlns:units="http://www.xml-cml.org/units/units"
7      xmlns:siUnits="http://www.xml-cml.org/units/siUnits"
8      xmlns:bibx="http://bibtexml.sf.net/"
9      xsi:schemaLocation="http://www.xml-cml.org/schema ../schemas/cml25.xsd
10                         http://bibtexml.sf.net/        ../schemas/bibtexml.xsd"
11      id="crystalStructure"
12      title="properties of the crystals">
13
14  <metadataList>
15    <metadata name="dc:title" content="Blue Obelisk Element Repository" />
16    <metadata name="dc:creator" content="The Blue Obelisk Movement" />
17    <metadata name="dc:license" content="The MIT License" />
18    <metadata name="dc:contributor" content="Carsten Niehaus" />
19  </metadataList>
20  <molecule id="H1">
21    <crystal>
22      <scalar id="sc1" title="a" units="units:pm">470.0</scalar>
23      <scalar id="sc2" title="b" units="units:pm">470.0</scalar>
24      <scalar id="sc3" title="c" units="units:pm">340.0</scalar>
25      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
26      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
27      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
28      <symmetry id="s1" spaceGroup="194" />
29    </crystal>
30    <atomArray>
31      <atom id="a1" elementType="H" xFract="0.0" yFract="0.0" zFract="0.0" />
32    </atomArray>
33  </molecule>
34  <molecule id="He2">
35    <crystal>
36      <scalar id="sc1" title="a" units="units:pm">424.2</scalar>
37      <scalar id="sc2" title="b" units="units:pm">424.2</scalar>
38      <scalar id="sc3" title="c" units="units:pm">424.2</scalar>
39      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
40      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
41      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
42      <symmetry id="s1" spaceGroup="225" />
43    </crystal>
44    <atomArray>
45      <atom id="a1" elementType="He" xFract="0.0" yFract="0.0" zFract="0.0" />
46    </atomArray>
47  </molecule>
48  <molecule id="Li3">
49    <crystal>
50      <scalar id="sc1" title="a" units="units:pm">351.0</scalar>
51      <scalar id="sc2" title="b" units="units:pm">351.0</scalar>
52      <scalar id="sc3" title="c" units="units:pm">351.0</scalar>
53      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
54      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
55      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
56      <symmetry id="s1" spaceGroup="229" />
57    </crystal>
58    <atomArray>
59      <atom id="a1" elementType="Li" xFract="0.0" yFract="0.0" zFract="0.0" />
60    </atomArray>
61  </molecule>
62  <molecule id="Be4">
63    <crystal>
64      <scalar id="sc1" title="a" units="units:pm">228.58</scalar>
65      <scalar id="sc2" title="b" units="units:pm">228.58</scalar>
66      <scalar id="sc3" title="c" units="units:pm">358.43</scalar>
67      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
68      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
69      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
70      <symmetry id="s1" spaceGroup="194" />
71    </crystal>
72    <atomArray>
73      <atom id="a1" elementType="Be" xFract="0.0" yFract="0.0" zFract="0.0" />
74    </atomArray>
75  </molecule>
76  <molecule id="B5">
77    <crystal>
78      <scalar id="sc1" title="a" units="units:pm">506.0</scalar>
79      <scalar id="sc2" title="b" units="units:pm">506.0</scalar>
80      <scalar id="sc3" title="c" units="units:pm">506.0</scalar>
81      <scalar id="sc4" title="alpha" units="units:degrees">58.06</scalar>
82      <scalar id="sc5" title="beta" units="units:degrees">58.06</scalar>
83      <scalar id="sc6" title="gamma" units="units:degrees">58.06</scalar>
84      <symmetry id="s1" spaceGroup="166" />
85    </crystal>
86    <atomArray>
87      <atom id="a1" elementType="B" xFract="0.0" yFract="0.0" zFract="0.0" />
88    </atomArray>
89  </molecule>
90  <molecule id="C6">
91    <crystal>
92      <scalar id="sc1" title="a" units="units:pm">246.4</scalar>
93      <scalar id="sc2" title="b" units="units:pm">246.4</scalar>
94      <scalar id="sc3" title="c" units="units:pm">671.1</scalar>
95      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
96      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
97      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
98      <symmetry id="s1" spaceGroup="194" />
99    </crystal>
100    <atomArray>
101      <atom id="a1" elementType="C" xFract="0.0" yFract="0.0" zFract="0.0" />
102    </atomArray>
103  </molecule>
104  <molecule id="N7">
105    <crystal>
106      <scalar id="sc1" title="a" units="units:pm">386.1</scalar>
107      <scalar id="sc2" title="b" units="units:pm">386.1</scalar>
108      <scalar id="sc3" title="c" units="units:pm">626.5</scalar>
109      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
110      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
111      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
112      <symmetry id="s1" spaceGroup="194" />
113    </crystal>
114    <atomArray>
115      <atom id="a1" elementType="N" xFract="0.0" yFract="0.0" zFract="0.0" />
116    </atomArray>
117  </molecule>
118  <molecule id="O8">
119    <crystal>
120      <scalar id="sc1" title="a" units="units:pm">540.3</scalar>
121      <scalar id="sc2" title="b" units="units:pm">342.9</scalar>
122      <scalar id="sc3" title="c" units="units:pm">508.6</scalar>
123      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
124      <scalar id="sc5" title="beta" units="units:degrees">132.53</scalar>
125      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
126      <symmetry id="s1" spaceGroup="12" />
127    </crystal>
128    <atomArray>
129      <atom id="a1" elementType="O" xFract="0.0" yFract="0.0" zFract="0.0" />
130    </atomArray>
131  </molecule>
132  <molecule id="F9">
133    <crystal>
134      <scalar id="sc1" title="a" units="units:pm">550.0</scalar>
135      <scalar id="sc2" title="b" units="units:pm">328.0</scalar>
136      <scalar id="sc3" title="c" units="units:pm">728.0</scalar>
137      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
138      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
139      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
140      <symmetry id="s1" spaceGroup="15" />
141    </crystal>
142    <atomArray>
143      <atom id="a1" elementType="F" xFract="0.0" yFract="0.0" zFract="0.0" />
144    </atomArray>
145  </molecule>
146  <molecule id="Ne10">
147    <crystal>
148      <scalar id="sc1" title="a" units="units:pm">442.9</scalar>
149      <scalar id="sc2" title="b" units="units:pm">442.9</scalar>
150      <scalar id="sc3" title="c" units="units:pm">442.9</scalar>
151      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
152      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
153      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
154      <symmetry id="s1" spaceGroup="225" />
155    </crystal>
156    <atomArray>
157      <atom id="a1" elementType="Ne" xFract="0.0" yFract="0.0" zFract="0.0" />
158    </atomArray>
159  </molecule>
160  <molecule id="Na11">
161    <crystal>
162      <scalar id="sc1" title="a" units="units:pm">429.06</scalar>
163      <scalar id="sc2" title="b" units="units:pm">429.06</scalar>
164      <scalar id="sc3" title="c" units="units:pm">429.06</scalar>
165      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
166      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
167      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
168      <symmetry id="s1" spaceGroup="229" />
169    </crystal>
170    <atomArray>
171      <atom id="a1" elementType="Na" xFract="0.0" yFract="0.0" zFract="0.0" />
172    </atomArray>
173  </molecule>
174  <molecule id="Mg12">
175    <crystal>
176      <scalar id="sc1" title="a" units="units:pm">320.94</scalar>
177      <scalar id="sc2" title="b" units="units:pm">320.94</scalar>
178      <scalar id="sc3" title="c" units="units:pm">524.08</scalar>
179      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
180      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
181      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
182      <symmetry id="s1" spaceGroup="194" />
183    </crystal>
184    <atomArray>
185      <atom id="a1" elementType="Mg" xFract="0.0" yFract="0.0" zFract="0.0" />
186    </atomArray>
187  </molecule>
188  <molecule id="Al13">
189    <crystal>
190      <scalar id="sc1" title="a" units="units:pm">404.95</scalar>
191      <scalar id="sc2" title="b" units="units:pm">404.95</scalar>
192      <scalar id="sc3" title="c" units="units:pm">404.95</scalar>
193      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
194      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
195      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
196      <symmetry id="s1" spaceGroup="225" />
197    </crystal>
198    <atomArray>
199      <atom id="a1" elementType="Al" xFract="0.0" yFract="0.0" zFract="0.0" />
200    </atomArray>
201  </molecule>
202  <molecule id="Si14">
203    <crystal>
204      <scalar id="sc1" title="a" units="units:pm">543.09</scalar>
205      <scalar id="sc2" title="b" units="units:pm">543.09</scalar>
206      <scalar id="sc3" title="c" units="units:pm">543.09</scalar>
207      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
208      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
209      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
210      <symmetry id="s1" spaceGroup="227" />
211    </crystal>
212    <atomArray>
213      <atom id="a1" elementType="Si" xFract="0.0" yFract="0.0" zFract="0.0" />
214    </atomArray>
215  </molecule>
216  <molecule id="P15">
217    <crystal>
218      <scalar id="sc1" title="a" units="units:pm">1145.0</scalar>
219      <scalar id="sc2" title="b" units="units:pm">505.3</scalar>
220      <scalar id="sc3" title="c" units="units:pm">1126.1</scalar>
221      <scalar id="sc4" title="alpha" units="units:degrees">71.84</scalar>
222      <scalar id="sc5" title="beta" units="units:degrees">90.37</scalar>
223      <scalar id="sc6" title="gamma" units="units:degrees">71.56</scalar>
224      <symmetry id="s1" spaceGroup="2" />
225    </crystal>
226    <atomArray>
227      <atom id="a1" elementType="P" xFract="0.0" yFract="0.0" zFract="0.0" />
228    </atomArray>
229  </molecule>
230  <molecule id="S16">
231    <crystal>
232      <scalar id="sc1" title="a" units="units:pm">1043.7</scalar>
233      <scalar id="sc2" title="b" units="units:pm">1284.5</scalar>
234      <scalar id="sc3" title="c" units="units:pm">2436.9</scalar>
235      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
236      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
237      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
238      <symmetry id="s1" spaceGroup="70" />
239    </crystal>
240    <atomArray>
241      <atom id="a1" elementType="S" xFract="0.0" yFract="0.0" zFract="0.0" />
242    </atomArray>
243  </molecule>
244  <molecule id="Cl17">
245    <crystal>
246      <scalar id="sc1" title="a" units="units:pm">622.35</scalar>
247      <scalar id="sc2" title="b" units="units:pm">445.61</scalar>
248      <scalar id="sc3" title="c" units="units:pm">817.85</scalar>
249      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
250      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
251      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
252      <symmetry id="s1" spaceGroup="64" />
253    </crystal>
254    <atomArray>
255      <atom id="a1" elementType="Cl" xFract="0.0" yFract="0.0" zFract="0.0" />
256    </atomArray>
257  </molecule>
258  <molecule id="Ar18">
259    <crystal>
260      <scalar id="sc1" title="a" units="units:pm">525.6</scalar>
261      <scalar id="sc2" title="b" units="units:pm">525.6</scalar>
262      <scalar id="sc3" title="c" units="units:pm">525.6</scalar>
263      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
264      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
265      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
266      <symmetry id="s1" spaceGroup="225" />
267    </crystal>
268    <atomArray>
269      <atom id="a1" elementType="Ar" xFract="0.0" yFract="0.0" zFract="0.0" />
270    </atomArray>
271  </molecule>
272  <molecule id="K19">
273    <crystal>
274      <scalar id="sc1" title="a" units="units:pm">532.8</scalar>
275      <scalar id="sc2" title="b" units="units:pm">532.8</scalar>
276      <scalar id="sc3" title="c" units="units:pm">532.8</scalar>
277      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
278      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
279      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
280      <symmetry id="s1" spaceGroup="229" />
281    </crystal>
282    <atomArray>
283      <atom id="a1" elementType="K" xFract="0.0" yFract="0.0" zFract="0.0" />
284    </atomArray>
285  </molecule>
286  <molecule id="Ca20">
287    <crystal>
288      <scalar id="sc1" title="a" units="units:pm">558.84</scalar>
289      <scalar id="sc2" title="b" units="units:pm">558.84</scalar>
290      <scalar id="sc3" title="c" units="units:pm">558.84</scalar>
291      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
292      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
293      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
294      <symmetry id="s1" spaceGroup="225" />
295    </crystal>
296    <atomArray>
297      <atom id="a1" elementType="Ca" xFract="0.0" yFract="0.0" zFract="0.0" />
298    </atomArray>
299  </molecule>
300  <molecule id="Sc21">
301    <crystal>
302      <scalar id="sc1" title="a" units="units:pm">330.9</scalar>
303      <scalar id="sc2" title="b" units="units:pm">330.9</scalar>
304      <scalar id="sc3" title="c" units="units:pm">527.33</scalar>
305      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
306      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
307      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
308      <symmetry id="s1" spaceGroup="194" />
309    </crystal>
310    <atomArray>
311      <atom id="a1" elementType="Sc" xFract="0.0" yFract="0.0" zFract="0.0" />
312    </atomArray>
313  </molecule>
314  <molecule id="Ti22">
315    <crystal>
316      <scalar id="sc1" title="a" units="units:pm">295.8</scalar>
317      <scalar id="sc2" title="b" units="units:pm">295.8</scalar>
318      <scalar id="sc3" title="c" units="units:pm">468.55</scalar>
319      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
320      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
321      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
322      <symmetry id="s1" spaceGroup="194" />
323    </crystal>
324    <atomArray>
325      <atom id="a1" elementType="Ti" xFract="0.0" yFract="0.0" zFract="0.0" />
326    </atomArray>
327  </molecule>
328  <molecule id="V23">
329    <crystal>
330      <scalar id="sc1" title="a" units="units:pm">303.0</scalar>
331      <scalar id="sc2" title="b" units="units:pm">303.0</scalar>
332      <scalar id="sc3" title="c" units="units:pm">303.0</scalar>
333      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
334      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
335      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
336      <symmetry id="s1" spaceGroup="229" />
337    </crystal>
338    <atomArray>
339      <atom id="a1" elementType="V" xFract="0.0" yFract="0.0" zFract="0.0" />
340    </atomArray>
341  </molecule>
342  <molecule id="Cr24">
343    <crystal>
344      <scalar id="sc1" title="a" units="units:pm">291.0</scalar>
345      <scalar id="sc2" title="b" units="units:pm">291.0</scalar>
346      <scalar id="sc3" title="c" units="units:pm">291.0</scalar>
347      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
348      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
349      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
350      <symmetry id="s1" spaceGroup="229" />
351    </crystal>
352    <atomArray>
353      <atom id="a1" elementType="Cr" xFract="0.0" yFract="0.0" zFract="0.0" />
354    </atomArray>
355  </molecule>
356  <molecule id="Mn25">
357    <crystal>
358      <scalar id="sc1" title="a" units="units:pm">891.25</scalar>
359      <scalar id="sc2" title="b" units="units:pm">891.25</scalar>
360      <scalar id="sc3" title="c" units="units:pm">891.25</scalar>
361      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
362      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
363      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
364      <symmetry id="s1" spaceGroup="217" />
365    </crystal>
366    <atomArray>
367      <atom id="a1" elementType="Mn" xFract="0.0" yFract="0.0" zFract="0.0" />
368    </atomArray>
369  </molecule>
370  <molecule id="Fe26">
371    <crystal>
372      <scalar id="sc1" title="a" units="units:pm">286.65</scalar>
373      <scalar id="sc2" title="b" units="units:pm">286.65</scalar>
374      <scalar id="sc3" title="c" units="units:pm">286.65</scalar>
375      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
376      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
377      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
378      <symmetry id="s1" spaceGroup="229" />
379    </crystal>
380    <atomArray>
381      <atom id="a1" elementType="Fe" xFract="0.0" yFract="0.0" zFract="0.0" />
382    </atomArray>
383  </molecule>
384  <molecule id="Co27">
385    <crystal>
386      <scalar id="sc1" title="a" units="units:pm">250.71</scalar>
387      <scalar id="sc2" title="b" units="units:pm">250.71</scalar>
388      <scalar id="sc3" title="c" units="units:pm">406.95</scalar>
389      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
390      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
391      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
392      <symmetry id="s1" spaceGroup="194" />
393    </crystal>
394    <atomArray>
395      <atom id="a1" elementType="Co" xFract="0.0" yFract="0.0" zFract="0.0" />
396    </atomArray>
397  </molecule>
398  <molecule id="Ni28">
399    <crystal>
400      <scalar id="sc1" title="a" units="units:pm">352.4</scalar>
401      <scalar id="sc2" title="b" units="units:pm">352.4</scalar>
402      <scalar id="sc3" title="c" units="units:pm">352.4</scalar>
403      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
404      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
405      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
406      <symmetry id="s1" spaceGroup="225" />
407    </crystal>
408    <atomArray>
409      <atom id="a1" elementType="Ni" xFract="0.0" yFract="0.0" zFract="0.0" />
410    </atomArray>
411  </molecule>
412  <molecule id="Cu29">
413    <crystal>
414      <scalar id="sc1" title="a" units="units:pm">361.49</scalar>
415      <scalar id="sc2" title="b" units="units:pm">361.49</scalar>
416      <scalar id="sc3" title="c" units="units:pm">361.49</scalar>
417      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
418      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
419      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
420      <symmetry id="s1" spaceGroup="225" />
421    </crystal>
422    <atomArray>
423      <atom id="a1" elementType="Cu" xFract="0.0" yFract="0.0" zFract="0.0" />
424    </atomArray>
425  </molecule>
426  <molecule id="Zn30">
427    <crystal>
428      <scalar id="sc1" title="a" units="units:pm">266.49</scalar>
429      <scalar id="sc2" title="b" units="units:pm">266.49</scalar>
430      <scalar id="sc3" title="c" units="units:pm">494.68</scalar>
431      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
432      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
433      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
434      <symmetry id="s1" spaceGroup="194" />
435    </crystal>
436    <atomArray>
437      <atom id="a1" elementType="Zn" xFract="0.0" yFract="0.0" zFract="0.0" />
438    </atomArray>
439  </molecule>
440  <molecule id="Ga31">
441    <crystal>
442      <scalar id="sc1" title="a" units="units:pm">451.97</scalar>
443      <scalar id="sc2" title="b" units="units:pm">766.33</scalar>
444      <scalar id="sc3" title="c" units="units:pm">452.6</scalar>
445      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
446      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
447      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
448      <symmetry id="s1" spaceGroup="64" />
449    </crystal>
450    <atomArray>
451      <atom id="a1" elementType="Ga" xFract="0.0" yFract="0.0" zFract="0.0" />
452    </atomArray>
453  </molecule>
454  <molecule id="Ge32">
455    <crystal>
456      <scalar id="sc1" title="a" units="units:pm">565.75</scalar>
457      <scalar id="sc2" title="b" units="units:pm">565.75</scalar>
458      <scalar id="sc3" title="c" units="units:pm">565.75</scalar>
459      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
460      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
461      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
462      <symmetry id="s1" spaceGroup="225" />
463    </crystal>
464    <atomArray>
465      <atom id="a1" elementType="Ge" xFract="0.0" yFract="0.0" zFract="0.0" />
466    </atomArray>
467  </molecule>
468  <molecule id="As33">
469    <crystal>
470      <scalar id="sc1" title="a" units="units:pm">375.98</scalar>
471      <scalar id="sc2" title="b" units="units:pm">375.98</scalar>
472      <scalar id="sc3" title="c" units="units:pm">1054.75</scalar>
473      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
474      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
475      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
476      <symmetry id="s1" spaceGroup="166" />
477    </crystal>
478    <atomArray>
479      <atom id="a1" elementType="As" xFract="0.0" yFract="0.0" zFract="0.0" />
480    </atomArray>
481  </molecule>
482  <molecule id="Se34">
483    <crystal>
484      <scalar id="sc1" title="a" units="units:pm">905.4</scalar>
485      <scalar id="sc2" title="b" units="units:pm">908.3</scalar>
486      <scalar id="sc3" title="c" units="units:pm">1160.1</scalar>
487      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
488      <scalar id="sc5" title="beta" units="units:degrees">90.81</scalar>
489      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
490      <symmetry id="s1" spaceGroup="14" />
491    </crystal>
492    <atomArray>
493      <atom id="a1" elementType="Se" xFract="0.0" yFract="0.0" zFract="0.0" />
494    </atomArray>
495  </molecule>
496  <molecule id="Br35">
497    <crystal>
498      <scalar id="sc1" title="a" units="units:pm">672.65</scalar>
499      <scalar id="sc2" title="b" units="units:pm">464.51</scalar>
500      <scalar id="sc3" title="c" units="units:pm">870.23</scalar>
501      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
502      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
503      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
504      <symmetry id="s1" spaceGroup="64" />
505    </crystal>
506    <atomArray>
507      <atom id="a1" elementType="Br" xFract="0.0" yFract="0.0" zFract="0.0" />
508    </atomArray>
509  </molecule>
510  <molecule id="Kr36">
511    <crystal>
512      <scalar id="sc1" title="a" units="units:pm">570.6</scalar>
513      <scalar id="sc2" title="b" units="units:pm">570.6</scalar>
514      <scalar id="sc3" title="c" units="units:pm">570.6</scalar>
515      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
516      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
517      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
518      <symmetry id="s1" spaceGroup="225" />
519    </crystal>
520    <atomArray>
521      <atom id="a1" elementType="Kr" xFract="0.0" yFract="0.0" zFract="0.0" />
522    </atomArray>
523  </molecule>
524  <molecule id="Rb37">
525    <crystal>
526      <scalar id="sc1" title="a" units="units:pm">558.5</scalar>
527      <scalar id="sc2" title="b" units="units:pm">558.5</scalar>
528      <scalar id="sc3" title="c" units="units:pm">558.5</scalar>
529      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
530      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
531      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
532      <symmetry id="s1" spaceGroup="229" />
533    </crystal>
534    <atomArray>
535      <atom id="a1" elementType="Rb" xFract="0.0" yFract="0.0" zFract="0.0" />
536    </atomArray>
537  </molecule>
538  <molecule id="Sr38">
539    <crystal>
540      <scalar id="sc1" title="a" units="units:pm">608.49</scalar>
541      <scalar id="sc2" title="b" units="units:pm">608.49</scalar>
542      <scalar id="sc3" title="c" units="units:pm">608.49</scalar>
543      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
544      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
545      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
546      <symmetry id="s1" spaceGroup="225" />
547    </crystal>
548    <atomArray>
549      <atom id="a1" elementType="Sr" xFract="0.0" yFract="0.0" zFract="0.0" />
550    </atomArray>
551  </molecule>
552  <molecule id="Y39">
553    <crystal>
554      <scalar id="sc1" title="a" units="units:pm">364.74</scalar>
555      <scalar id="sc2" title="b" units="units:pm">364.74</scalar>
556      <scalar id="sc3" title="c" units="units:pm">573.06</scalar>
557      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
558      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
559      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
560      <symmetry id="s1" spaceGroup="194" />
561    </crystal>
562    <atomArray>
563      <atom id="a1" elementType="Y" xFract="0.0" yFract="0.0" zFract="0.0" />
564    </atomArray>
565  </molecule>
566  <molecule id="Zr40">
567    <crystal>
568      <scalar id="sc1" title="a" units="units:pm">323.2</scalar>
569      <scalar id="sc2" title="b" units="units:pm">323.2</scalar>
570      <scalar id="sc3" title="c" units="units:pm">514.7</scalar>
571      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
572      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
573      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
574      <symmetry id="s1" spaceGroup="194" />
575    </crystal>
576    <atomArray>
577      <atom id="a1" elementType="Zr" xFract="0.0" yFract="0.0" zFract="0.0" />
578    </atomArray>
579  </molecule>
580  <molecule id="Nb41">
581    <crystal>
582      <scalar id="sc1" title="a" units="units:pm">330.04</scalar>
583      <scalar id="sc2" title="b" units="units:pm">330.04</scalar>
584      <scalar id="sc3" title="c" units="units:pm">330.04</scalar>
585      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
586      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
587      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
588      <symmetry id="s1" spaceGroup="229" />
589    </crystal>
590    <atomArray>
591      <atom id="a1" elementType="Nb" xFract="0.0" yFract="0.0" zFract="0.0" />
592    </atomArray>
593  </molecule>
594  <molecule id="Mo42">
595    <crystal>
596      <scalar id="sc1" title="a" units="units:pm">314.7</scalar>
597      <scalar id="sc2" title="b" units="units:pm">314.7</scalar>
598      <scalar id="sc3" title="c" units="units:pm">314.7</scalar>
599      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
600      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
601      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
602      <symmetry id="s1" spaceGroup="229" />
603    </crystal>
604    <atomArray>
605      <atom id="a1" elementType="Mo" xFract="0.0" yFract="0.0" zFract="0.0" />
606    </atomArray>
607  </molecule>
608  <molecule id="Tc43">
609    <crystal>
610      <scalar id="sc1" title="a" units="units:pm">273.5</scalar>
611      <scalar id="sc2" title="b" units="units:pm">273.5</scalar>
612      <scalar id="sc3" title="c" units="units:pm">438.8</scalar>
613      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
614      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
615      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
616      <symmetry id="s1" spaceGroup="194" />
617    </crystal>
618    <atomArray>
619      <atom id="a1" elementType="Tc" xFract="0.0" yFract="0.0" zFract="0.0" />
620    </atomArray>
621  </molecule>
622  <molecule id="Ru44">
623    <crystal>
624      <scalar id="sc1" title="a" units="units:pm">270.59</scalar>
625      <scalar id="sc2" title="b" units="units:pm">270.59</scalar>
626      <scalar id="sc3" title="c" units="units:pm">428.15</scalar>
627      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
628      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
629      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
630      <symmetry id="s1" spaceGroup="194" />
631    </crystal>
632    <atomArray>
633      <atom id="a1" elementType="Ru" xFract="0.0" yFract="0.0" zFract="0.0" />
634    </atomArray>
635  </molecule>
636  <molecule id="Rh45">
637    <crystal>
638      <scalar id="sc1" title="a" units="units:pm">380.34</scalar>
639      <scalar id="sc2" title="b" units="units:pm">380.34</scalar>
640      <scalar id="sc3" title="c" units="units:pm">380.34</scalar>
641      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
642      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
643      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
644      <symmetry id="s1" spaceGroup="225" />
645    </crystal>
646    <atomArray>
647      <atom id="a1" elementType="Rh" xFract="0.0" yFract="0.0" zFract="0.0" />
648    </atomArray>
649  </molecule>
650  <molecule id="Pd46">
651    <crystal>
652      <scalar id="sc1" title="a" units="units:pm">389.07</scalar>
653      <scalar id="sc2" title="b" units="units:pm">389.07</scalar>
654      <scalar id="sc3" title="c" units="units:pm">389.07</scalar>
655      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
656      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
657      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
658      <symmetry id="s1" spaceGroup="225" />
659    </crystal>
660    <atomArray>
661      <atom id="a1" elementType="Pd" xFract="0.0" yFract="0.0" zFract="0.0" />
662    </atomArray>
663  </molecule>
664  <molecule id="Ag47">
665    <crystal>
666      <scalar id="sc1" title="a" units="units:pm">408.53</scalar>
667      <scalar id="sc2" title="b" units="units:pm">408.53</scalar>
668      <scalar id="sc3" title="c" units="units:pm">408.53</scalar>
669      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
670      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
671      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
672      <symmetry id="s1" spaceGroup="225" />
673    </crystal>
674    <atomArray>
675      <atom id="a1" elementType="Ag" xFract="0.0" yFract="0.0" zFract="0.0" />
676    </atomArray>
677  </molecule>
678  <molecule id="Cd48">
679    <crystal>
680      <scalar id="sc1" title="a" units="units:pm">297.94</scalar>
681      <scalar id="sc2" title="b" units="units:pm">297.94</scalar>
682      <scalar id="sc3" title="c" units="units:pm">561.86</scalar>
683      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
684      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
685      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
686      <symmetry id="s1" spaceGroup="194" />
687    </crystal>
688    <atomArray>
689      <atom id="a1" elementType="Cd" xFract="0.0" yFract="0.0" zFract="0.0" />
690    </atomArray>
691  </molecule>
692  <molecule id="In49">
693    <crystal>
694      <scalar id="sc1" title="a" units="units:pm">325.23</scalar>
695      <scalar id="sc2" title="b" units="units:pm">325.23</scalar>
696      <scalar id="sc3" title="c" units="units:pm">494.61</scalar>
697      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
698      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
699      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
700      <symmetry id="s1" spaceGroup="139" />
701    </crystal>
702    <atomArray>
703      <atom id="a1" elementType="In" xFract="0.0" yFract="0.0" zFract="0.0" />
704    </atomArray>
705  </molecule>
706  <molecule id="Sn50">
707    <crystal>
708      <scalar id="sc1" title="a" units="units:pm">583.18</scalar>
709      <scalar id="sc2" title="b" units="units:pm">583.18</scalar>
710      <scalar id="sc3" title="c" units="units:pm">318.19</scalar>
711      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
712      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
713      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
714      <symmetry id="s1" spaceGroup="141" />
715    </crystal>
716    <atomArray>
717      <atom id="a1" elementType="Sn" xFract="0.0" yFract="0.0" zFract="0.0" />
718    </atomArray>
719  </molecule>
720  <molecule id="Sb51">
721    <crystal>
722      <scalar id="sc1" title="a" units="units:pm">430.7</scalar>
723      <scalar id="sc2" title="b" units="units:pm">430.7</scalar>
724      <scalar id="sc3" title="c" units="units:pm">1127.3</scalar>
725      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
726      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
727      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
728      <symmetry id="s1" spaceGroup="166" />
729    </crystal>
730    <atomArray>
731      <atom id="a1" elementType="Sb" xFract="0.0" yFract="0.0" zFract="0.0" />
732    </atomArray>
733  </molecule>
734  <molecule id="Te52">
735    <crystal>
736      <scalar id="sc1" title="a" units="units:pm">445.72</scalar>
737      <scalar id="sc2" title="b" units="units:pm">445.72</scalar>
738      <scalar id="sc3" title="c" units="units:pm">592.9</scalar>
739      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
740      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
741      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
742      <symmetry id="s1" spaceGroup="152" />
743    </crystal>
744    <atomArray>
745      <atom id="a1" elementType="Te" xFract="0.0" yFract="0.0" zFract="0.0" />
746    </atomArray>
747  </molecule>
748  <molecule id="I53">
749    <crystal>
750      <scalar id="sc1" title="a" units="units:pm">718.02</scalar>
751      <scalar id="sc2" title="b" units="units:pm">471.02</scalar>
752      <scalar id="sc3" title="c" units="units:pm">981.03</scalar>
753      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
754      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
755      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
756      <symmetry id="s1" spaceGroup="64" />
757    </crystal>
758    <atomArray>
759      <atom id="a1" elementType="I" xFract="0.0" yFract="0.0" zFract="0.0" />
760    </atomArray>
761  </molecule>
762  <molecule id="Xe54">
763    <crystal>
764      <scalar id="sc1" title="a" units="units:pm">620.23</scalar>
765      <scalar id="sc2" title="b" units="units:pm">620.23</scalar>
766      <scalar id="sc3" title="c" units="units:pm">620.23</scalar>
767      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
768      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
769      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
770      <symmetry id="s1" spaceGroup="225" />
771    </crystal>
772    <atomArray>
773      <atom id="a1" elementType="Xe" xFract="0.0" yFract="0.0" zFract="0.0" />
774    </atomArray>
775  </molecule>
776  <molecule id="Cs55">
777    <crystal>
778      <scalar id="sc1" title="a" units="units:pm">614.1</scalar>
779      <scalar id="sc2" title="b" units="units:pm">614.1</scalar>
780      <scalar id="sc3" title="c" units="units:pm">614.1</scalar>
781      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
782      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
783      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
784      <symmetry id="s1" spaceGroup="229" />
785    </crystal>
786    <atomArray>
787      <atom id="a1" elementType="Cs" xFract="0.0" yFract="0.0" zFract="0.0" />
788    </atomArray>
789  </molecule>
790  <molecule id="Ba56">
791    <crystal>
792      <scalar id="sc1" title="a" units="units:pm">502.8</scalar>
793      <scalar id="sc2" title="b" units="units:pm">502.8</scalar>
794      <scalar id="sc3" title="c" units="units:pm">502.8</scalar>
795      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
796      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
797      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
798      <symmetry id="s1" spaceGroup="229" />
799    </crystal>
800    <atomArray>
801      <atom id="a1" elementType="Ba" xFract="0.0" yFract="0.0" zFract="0.0" />
802    </atomArray>
803  </molecule>
804  <molecule id="La57">
805    <crystal>
806      <scalar id="sc1" title="a" units="units:pm">377.2</scalar>
807      <scalar id="sc2" title="b" units="units:pm">377.2</scalar>
808      <scalar id="sc3" title="c" units="units:pm">1214.4</scalar>
809      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
810      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
811      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
812      <symmetry id="s1" spaceGroup="194" />
813    </crystal>
814    <atomArray>
815      <atom id="a1" elementType="La" xFract="0.0" yFract="0.0" zFract="0.0" />
816    </atomArray>
817  </molecule>
818  <molecule id="Ce58">
819    <crystal>
820      <scalar id="sc1" title="a" units="units:pm">362.0</scalar>
821      <scalar id="sc2" title="b" units="units:pm">362.0</scalar>
822      <scalar id="sc3" title="c" units="units:pm">599.0</scalar>
823      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
824      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
825      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
826      <symmetry id="s1" spaceGroup="194" />
827    </crystal>
828    <atomArray>
829      <atom id="a1" elementType="Ce" xFract="0.0" yFract="0.0" zFract="0.0" />
830    </atomArray>
831  </molecule>
832  <molecule id="Pr59">
833    <crystal>
834      <scalar id="sc1" title="a" units="units:pm">367.25</scalar>
835      <scalar id="sc2" title="b" units="units:pm">367.25</scalar>
836      <scalar id="sc3" title="c" units="units:pm">1183.54</scalar>
837      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
838      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
839      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
840      <symmetry id="s1" spaceGroup="194" />
841    </crystal>
842    <atomArray>
843      <atom id="a1" elementType="Pr" xFract="0.0" yFract="0.0" zFract="0.0" />
844    </atomArray>
845  </molecule>
846  <molecule id="Nd60">
847    <crystal>
848      <scalar id="sc1" title="a" units="units:pm">365.8</scalar>
849      <scalar id="sc2" title="b" units="units:pm">365.8</scalar>
850      <scalar id="sc3" title="c" units="units:pm">1179.9</scalar>
851      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
852      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
853      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
854      <symmetry id="s1" spaceGroup="194" />
855    </crystal>
856    <atomArray>
857      <atom id="a1" elementType="Nd" xFract="0.0" yFract="0.0" zFract="0.0" />
858    </atomArray>
859  </molecule>
860  <molecule id="Sm62">
861    <crystal>
862      <scalar id="sc1" title="a" units="units:pm">362.1</scalar>
863      <scalar id="sc2" title="b" units="units:pm">362.1</scalar>
864      <scalar id="sc3" title="c" units="units:pm">2625.0</scalar>
865      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
866      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
867      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
868      <symmetry id="s1" spaceGroup="166" />
869    </crystal>
870    <atomArray>
871      <atom id="a1" elementType="Sm" xFract="0.0" yFract="0.0" zFract="0.0" />
872    </atomArray>
873  </molecule>
874  <molecule id="Eu63">
875    <crystal>
876      <scalar id="sc1" title="a" units="units:pm">458.1</scalar>
877      <scalar id="sc2" title="b" units="units:pm">458.1</scalar>
878      <scalar id="sc3" title="c" units="units:pm">458.1</scalar>
879      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
880      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
881      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
882      <symmetry id="s1" spaceGroup="229" />
883    </crystal>
884    <atomArray>
885      <atom id="a1" elementType="Eu" xFract="0.0" yFract="0.0" zFract="0.0" />
886    </atomArray>
887  </molecule>
888  <molecule id="Gd64">
889    <crystal>
890      <scalar id="sc1" title="a" units="units:pm">363.6</scalar>
891      <scalar id="sc2" title="b" units="units:pm">363.6</scalar>
892      <scalar id="sc3" title="c" units="units:pm">578.26</scalar>
893      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
894      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
895      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
896      <symmetry id="s1" spaceGroup="194" />
897    </crystal>
898    <atomArray>
899      <atom id="a1" elementType="Gd" xFract="0.0" yFract="0.0" zFract="0.0" />
900    </atomArray>
901  </molecule>
902  <molecule id="Tb65">
903    <crystal>
904      <scalar id="sc1" title="a" units="units:pm">360.1</scalar>
905      <scalar id="sc2" title="b" units="units:pm">360.1</scalar>
906      <scalar id="sc3" title="c" units="units:pm">569.36</scalar>
907      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
908      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
909      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
910      <symmetry id="s1" spaceGroup="194" />
911    </crystal>
912    <atomArray>
913      <atom id="a1" elementType="Tb" xFract="0.0" yFract="0.0" zFract="0.0" />
914    </atomArray>
915  </molecule>
916  <molecule id="Dy66">
917    <crystal>
918      <scalar id="sc1" title="a" units="units:pm">359.3</scalar>
919      <scalar id="sc2" title="b" units="units:pm">359.3</scalar>
920      <scalar id="sc3" title="c" units="units:pm">565.37</scalar>
921      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
922      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
923      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
924      <symmetry id="s1" spaceGroup="194" />
925    </crystal>
926    <atomArray>
927      <atom id="a1" elementType="Dy" xFract="0.0" yFract="0.0" zFract="0.0" />
928    </atomArray>
929  </molecule>
930  <molecule id="Ho67">
931    <crystal>
932      <scalar id="sc1" title="a" units="units:pm">357.73</scalar>
933      <scalar id="sc2" title="b" units="units:pm">357.73</scalar>
934      <scalar id="sc3" title="c" units="units:pm">561.58</scalar>
935      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
936      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
937      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
938      <symmetry id="s1" spaceGroup="194" />
939    </crystal>
940    <atomArray>
941      <atom id="a1" elementType="Ho" xFract="0.0" yFract="0.0" zFract="0.0" />
942    </atomArray>
943  </molecule>
944  <molecule id="Er68">
945    <crystal>
946      <scalar id="sc1" title="a" units="units:pm">355.88</scalar>
947      <scalar id="sc2" title="b" units="units:pm">355.88</scalar>
948      <scalar id="sc3" title="c" units="units:pm">558.74</scalar>
949      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
950      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
951      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
952      <symmetry id="s1" spaceGroup="194" />
953    </crystal>
954    <atomArray>
955      <atom id="a1" elementType="Er" xFract="0.0" yFract="0.0" zFract="0.0" />
956    </atomArray>
957  </molecule>
958  <molecule id="Tm69">
959    <crystal>
960      <scalar id="sc1" title="a" units="units:pm">353.75</scalar>
961      <scalar id="sc2" title="b" units="units:pm">353.75</scalar>
962      <scalar id="sc3" title="c" units="units:pm">555.46</scalar>
963      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
964      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
965      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
966      <symmetry id="s1" spaceGroup="194" />
967    </crystal>
968    <atomArray>
969      <atom id="a1" elementType="Tm" xFract="0.0" yFract="0.0" zFract="0.0" />
970    </atomArray>
971  </molecule>
972  <molecule id="Yb70">
973    <crystal>
974      <scalar id="sc1" title="a" units="units:pm">548.47</scalar>
975      <scalar id="sc2" title="b" units="units:pm">548.47</scalar>
976      <scalar id="sc3" title="c" units="units:pm">548.47</scalar>
977      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
978      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
979      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
980      <symmetry id="s1" spaceGroup="225" />
981    </crystal>
982    <atomArray>
983      <atom id="a1" elementType="Yb" xFract="0.0" yFract="0.0" zFract="0.0" />
984    </atomArray>
985  </molecule>
986  <molecule id="Lu71">
987    <crystal>
988      <scalar id="sc1" title="a" units="units:pm">350.31</scalar>
989      <scalar id="sc2" title="b" units="units:pm">350.31</scalar>
990      <scalar id="sc3" title="c" units="units:pm">555.09</scalar>
991      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
992      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
993      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
994      <symmetry id="s1" spaceGroup="194" />
995    </crystal>
996    <atomArray>
997      <atom id="a1" elementType="Lu" xFract="0.0" yFract="0.0" zFract="0.0" />
998    </atomArray>
999  </molecule>
1000  <molecule id="Hf72">
1001    <crystal>
1002      <scalar id="sc1" title="a" units="units:pm">319.64</scalar>
1003      <scalar id="sc2" title="b" units="units:pm">319.64</scalar>
1004      <scalar id="sc3" title="c" units="units:pm">505.11</scalar>
1005      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1006      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1007      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
1008      <symmetry id="s1" spaceGroup="194" />
1009    </crystal>
1010    <atomArray>
1011      <atom id="a1" elementType="Hf" xFract="0.0" yFract="0.0" zFract="0.0" />
1012    </atomArray>
1013  </molecule>
1014  <molecule id="Ta73">
1015    <crystal>
1016      <scalar id="sc1" title="a" units="units:pm">330.13</scalar>
1017      <scalar id="sc2" title="b" units="units:pm">330.13</scalar>
1018      <scalar id="sc3" title="c" units="units:pm">330.13</scalar>
1019      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1020      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1021      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1022      <symmetry id="s1" spaceGroup="229" />
1023    </crystal>
1024    <atomArray>
1025      <atom id="a1" elementType="Ta" xFract="0.0" yFract="0.0" zFract="0.0" />
1026    </atomArray>
1027  </molecule>
1028  <molecule id="W74">
1029    <crystal>
1030      <scalar id="sc1" title="a" units="units:pm">316.52</scalar>
1031      <scalar id="sc2" title="b" units="units:pm">316.52</scalar>
1032      <scalar id="sc3" title="c" units="units:pm">316.52</scalar>
1033      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1034      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1035      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1036      <symmetry id="s1" spaceGroup="229" />
1037    </crystal>
1038    <atomArray>
1039      <atom id="a1" elementType="W" xFract="0.0" yFract="0.0" zFract="0.0" />
1040    </atomArray>
1041  </molecule>
1042  <molecule id="Re75">
1043    <crystal>
1044      <scalar id="sc1" title="a" units="units:pm">276.1</scalar>
1045      <scalar id="sc2" title="b" units="units:pm">276.1</scalar>
1046      <scalar id="sc3" title="c" units="units:pm">445.6</scalar>
1047      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1048      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1049      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
1050      <symmetry id="s1" spaceGroup="194" />
1051    </crystal>
1052    <atomArray>
1053      <atom id="a1" elementType="Re" xFract="0.0" yFract="0.0" zFract="0.0" />
1054    </atomArray>
1055  </molecule>
1056  <molecule id="Os76">
1057    <crystal>
1058      <scalar id="sc1" title="a" units="units:pm">273.44</scalar>
1059      <scalar id="sc2" title="b" units="units:pm">273.44</scalar>
1060      <scalar id="sc3" title="c" units="units:pm">431.73</scalar>
1061      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1062      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1063      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
1064      <symmetry id="s1" spaceGroup="194" />
1065    </crystal>
1066    <atomArray>
1067      <atom id="a1" elementType="Os" xFract="0.0" yFract="0.0" zFract="0.0" />
1068    </atomArray>
1069  </molecule>
1070  <molecule id="Ir77">
1071    <crystal>
1072      <scalar id="sc1" title="a" units="units:pm">383.9</scalar>
1073      <scalar id="sc2" title="b" units="units:pm">383.9</scalar>
1074      <scalar id="sc3" title="c" units="units:pm">383.9</scalar>
1075      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1076      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1077      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1078      <symmetry id="s1" spaceGroup="225" />
1079    </crystal>
1080    <atomArray>
1081      <atom id="a1" elementType="Ir" xFract="0.0" yFract="0.0" zFract="0.0" />
1082    </atomArray>
1083  </molecule>
1084  <molecule id="Pt78">
1085    <crystal>
1086      <scalar id="sc1" title="a" units="units:pm">392.42</scalar>
1087      <scalar id="sc2" title="b" units="units:pm">392.42</scalar>
1088      <scalar id="sc3" title="c" units="units:pm">392.42</scalar>
1089      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1090      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1091      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1092      <symmetry id="s1" spaceGroup="225" />
1093    </crystal>
1094    <atomArray>
1095      <atom id="a1" elementType="Pt" xFract="0.0" yFract="0.0" zFract="0.0" />
1096    </atomArray>
1097  </molecule>
1098  <molecule id="Au79">
1099    <crystal>
1100      <scalar id="sc1" title="a" units="units:pm">407.82</scalar>
1101      <scalar id="sc2" title="b" units="units:pm">407.82</scalar>
1102      <scalar id="sc3" title="c" units="units:pm">407.82</scalar>
1103      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1104      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1105      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1106      <symmetry id="s1" spaceGroup="225" />
1107    </crystal>
1108    <atomArray>
1109      <atom id="a1" elementType="Au" xFract="0.0" yFract="0.0" zFract="0.0" />
1110    </atomArray>
1111  </molecule>
1112  <molecule id="Hg80">
1113    <crystal>
1114      <scalar id="sc1" title="a" units="units:pm">300.5</scalar>
1115      <scalar id="sc2" title="b" units="units:pm">300.5</scalar>
1116      <scalar id="sc3" title="c" units="units:pm">300.5</scalar>
1117      <scalar id="sc4" title="alpha" units="units:degrees">70.52</scalar>
1118      <scalar id="sc5" title="beta" units="units:degrees">70.52</scalar>
1119      <scalar id="sc6" title="gamma" units="units:degrees">70.52</scalar>
1120      <symmetry id="s1" spaceGroup="166" />
1121    </crystal>
1122    <atomArray>
1123      <atom id="a1" elementType="Hg" xFract="0.0" yFract="0.0" zFract="0.0" />
1124    </atomArray>
1125  </molecule>
1126  <molecule id="Tl81">
1127    <crystal>
1128      <scalar id="sc1" title="a" units="units:pm">345.66</scalar>
1129      <scalar id="sc2" title="b" units="units:pm">345.66</scalar>
1130      <scalar id="sc3" title="c" units="units:pm">552.48</scalar>
1131      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1132      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1133      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
1134      <symmetry id="s1" spaceGroup="194" />
1135    </crystal>
1136    <atomArray>
1137      <atom id="a1" elementType="Tl" xFract="0.0" yFract="0.0" zFract="0.0" />
1138    </atomArray>
1139  </molecule>
1140  <molecule id="Pb82">
1141    <crystal>
1142      <scalar id="sc1" title="a" units="units:pm">495.08</scalar>
1143      <scalar id="sc2" title="b" units="units:pm">495.08</scalar>
1144      <scalar id="sc3" title="c" units="units:pm">495.08</scalar>
1145      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1146      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1147      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1148      <symmetry id="s1" spaceGroup="225" />
1149    </crystal>
1150    <atomArray>
1151      <atom id="a1" elementType="Pb" xFract="0.0" yFract="0.0" zFract="0.0" />
1152    </atomArray>
1153  </molecule>
1154  <molecule id="Bi83">
1155    <crystal>
1156      <scalar id="sc1" title="a" units="units:pm">667.4</scalar>
1157      <scalar id="sc2" title="b" units="units:pm">611.7</scalar>
1158      <scalar id="sc3" title="c" units="units:pm">330.4</scalar>
1159      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1160      <scalar id="sc5" title="beta" units="units:degrees">110.33</scalar>
1161      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1162      <symmetry id="s1" spaceGroup="12" />
1163    </crystal>
1164    <atomArray>
1165      <atom id="a1" elementType="Bi" xFract="0.0" yFract="0.0" zFract="0.0" />
1166    </atomArray>
1167  </molecule>
1168  <molecule id="Po84">
1169    <crystal>
1170      <scalar id="sc1" title="a" units="units:pm">335.9</scalar>
1171      <scalar id="sc2" title="b" units="units:pm">335.9</scalar>
1172      <scalar id="sc3" title="c" units="units:pm">335.9</scalar>
1173      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1174      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1175      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1176      <symmetry id="s1" spaceGroup="221" />
1177    </crystal>
1178    <atomArray>
1179      <atom id="a1" elementType="Po" xFract="0.0" yFract="0.0" zFract="0.0" />
1180    </atomArray>
1181  </molecule>
1182  <molecule id="Ra88">
1183    <crystal>
1184      <scalar id="sc1" title="a" units="units:pm">514.8</scalar>
1185      <scalar id="sc2" title="b" units="units:pm">514.8</scalar>
1186      <scalar id="sc3" title="c" units="units:pm">514.8</scalar>
1187      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1188      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1189      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1190      <symmetry id="s1" spaceGroup="229" />
1191    </crystal>
1192    <atomArray>
1193      <atom id="a1" elementType="Ra" xFract="0.0" yFract="0.0" zFract="0.0" />
1194    </atomArray>
1195  </molecule>
1196  <molecule id="Ac89">
1197    <crystal>
1198      <scalar id="sc1" title="a" units="units:pm">567.0</scalar>
1199      <scalar id="sc2" title="b" units="units:pm">567.0</scalar>
1200      <scalar id="sc3" title="c" units="units:pm">567.0</scalar>
1201      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1202      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1203      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1204      <symmetry id="s1" spaceGroup="225" />
1205    </crystal>
1206    <atomArray>
1207      <atom id="a1" elementType="Ac" xFract="0.0" yFract="0.0" zFract="0.0" />
1208    </atomArray>
1209  </molecule>
1210  <molecule id="Th90">
1211    <crystal>
1212      <scalar id="sc1" title="a" units="units:pm">508.42</scalar>
1213      <scalar id="sc2" title="b" units="units:pm">508.42</scalar>
1214      <scalar id="sc3" title="c" units="units:pm">508.42</scalar>
1215      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1216      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1217      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1218      <symmetry id="s1" spaceGroup="225" />
1219    </crystal>
1220    <atomArray>
1221      <atom id="a1" elementType="Th" xFract="0.0" yFract="0.0" zFract="0.0" />
1222    </atomArray>
1223  </molecule>
1224  <molecule id="Pa91">
1225    <crystal>
1226      <scalar id="sc1" title="a" units="units:pm">392.5</scalar>
1227      <scalar id="sc2" title="b" units="units:pm">392.5</scalar>
1228      <scalar id="sc3" title="c" units="units:pm">323.8</scalar>
1229      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1230      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1231      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1232      <symmetry id="s1" spaceGroup="139" />
1233    </crystal>
1234    <atomArray>
1235      <atom id="a1" elementType="Pa" xFract="0.0" yFract="0.0" zFract="0.0" />
1236    </atomArray>
1237  </molecule>
1238  <molecule id="U92">
1239    <crystal>
1240      <scalar id="sc1" title="a" units="units:pm">285.37</scalar>
1241      <scalar id="sc2" title="b" units="units:pm">586.95</scalar>
1242      <scalar id="sc3" title="c" units="units:pm">495.48</scalar>
1243      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1244      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1245      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1246      <symmetry id="s1" spaceGroup="63" />
1247    </crystal>
1248    <atomArray>
1249      <atom id="a1" elementType="U" xFract="0.0" yFract="0.0" zFract="0.0" />
1250    </atomArray>
1251  </molecule>
1252  <molecule id="Np93">
1253    <crystal>
1254      <scalar id="sc1" title="a" units="units:pm">666.3</scalar>
1255      <scalar id="sc2" title="b" units="units:pm">472.3</scalar>
1256      <scalar id="sc3" title="c" units="units:pm">488.7</scalar>
1257      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1258      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1259      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1260      <symmetry id="s1" spaceGroup="62" />
1261    </crystal>
1262    <atomArray>
1263      <atom id="a1" elementType="Np" xFract="0.0" yFract="0.0" zFract="0.0" />
1264    </atomArray>
1265  </molecule>
1266  <molecule id="Pu94">
1267    <crystal>
1268      <scalar id="sc1" title="a" units="units:pm">618.3</scalar>
1269      <scalar id="sc2" title="b" units="units:pm">482.2</scalar>
1270      <scalar id="sc3" title="c" units="units:pm">1096.3</scalar>
1271      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1272      <scalar id="sc5" title="beta" units="units:degrees">101.79</scalar>
1273      <scalar id="sc6" title="gamma" units="units:degrees">90.0</scalar>
1274      <symmetry id="s1" spaceGroup="11" />
1275    </crystal>
1276    <atomArray>
1277      <atom id="a1" elementType="Pu" xFract="0.0" yFract="0.0" zFract="0.0" />
1278    </atomArray>
1279  </molecule>
1280  <molecule id="Am95">
1281    <crystal>
1282      <scalar id="sc1" title="a" units="units:pm">346.81</scalar>
1283      <scalar id="sc2" title="b" units="units:pm">346.81</scalar>
1284      <scalar id="sc3" title="c" units="units:pm">1124.1</scalar>
1285      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1286      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1287      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
1288      <symmetry id="s1" spaceGroup="194" />
1289    </crystal>
1290    <atomArray>
1291      <atom id="a1" elementType="Am" xFract="0.0" yFract="0.0" zFract="0.0" />
1292    </atomArray>
1293  </molecule>
1294  <molecule id="Cm96">
1295    <crystal>
1296      <scalar id="sc1" title="a" units="units:pm">349.6</scalar>
1297      <scalar id="sc2" title="b" units="units:pm">349.6</scalar>
1298      <scalar id="sc3" title="c" units="units:pm">1133.1</scalar>
1299      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1300      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1301      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
1302      <symmetry id="s1" spaceGroup="194" />
1303    </crystal>
1304    <atomArray>
1305      <atom id="a1" elementType="Cm" xFract="0.0" yFract="0.0" zFract="0.0" />
1306    </atomArray>
1307  </molecule>
1308  <molecule id="Bk97">
1309    <crystal>
1310      <scalar id="sc1" title="a" units="units:pm">341.6</scalar>
1311      <scalar id="sc2" title="b" units="units:pm">341.6</scalar>
1312      <scalar id="sc3" title="c" units="units:pm">1106.9</scalar>
1313      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1314      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1315      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
1316      <symmetry id="s1" spaceGroup="194" />
1317    </crystal>
1318    <atomArray>
1319      <atom id="a1" elementType="Bk" xFract="0.0" yFract="0.0" zFract="0.0" />
1320    </atomArray>
1321  </molecule>
1322  <molecule id="Cf98">
1323    <crystal>
1324      <scalar id="sc1" title="a" units="units:pm">338.0</scalar>
1325      <scalar id="sc2" title="b" units="units:pm">338.0</scalar>
1326      <scalar id="sc3" title="c" units="units:pm">1102.5</scalar>
1327      <scalar id="sc4" title="alpha" units="units:degrees">90.0</scalar>
1328      <scalar id="sc5" title="beta" units="units:degrees">90.0</scalar>
1329      <scalar id="sc6" title="gamma" units="units:degrees">120.0</scalar>
1330      <symmetry id="s1" spaceGroup="194" />
1331    </crystal>
1332    <atomArray>
1333      <atom id="a1" elementType="Cf" xFract="0.0" yFract="0.0" zFract="0.0" />
1334    </atomArray>
1335  </molecule>
1336</list>
1337