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<p><span style="font-size: 10pt;">Dear Wien2k users,</span><br>
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<div class="PlainText">I am trying to build the struct file of Cr2Ge2Te6 crystal from space group and atomic position using w2web.</div>
<div class="PlainText">I have obtained the information about this crystal from springer database</div>
<div class="PlainText"><a href="http://materials.springer.com/isp/crystallographic/docs/sd_1622000" class="OWAAutoLink" id="LPlnk963027" previewremoved="true">http://materials.springer.com/isp/crystallographic/docs/sd_1622000</a><br>
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<div class="PlainText">Space group: 148 (R-3 h)</div>
<div class="PlainText"><span>Lattice constants a, b, c: 0.68275 (nm), </span><span style="font-size: 10pt;">0.68275 (nm), </span><span style="font-size: 10pt;">2.05619 (nm)</span></div>
<div class="PlainText"><span style="font-size: 10pt;">Angle alpha, beta, gamma: 90, 90, 120</span></div>
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<div class="PlainText">atom Wychoff x y z</div>
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<div>Te <span style="white-space:pre"></span> 18f <span style="white-space:pre">
</span> <span style="white-space:pre"> </span>0.00367 <span style="white-space:pre">
</span>0.36633 <span style="white-space:pre"></span>0.08513 <span style="white-space: pre;"> </span><span style="white-space:pre"></span></div>
<div>Ge 6c <span style="white-space:pre"></span><span style="white-space:pre"></span>0
<span style="white-space:pre"></span> 0 <span style="white-space:pre"></span> 0.059
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<div>Cr <span style="white-space:pre"></span> 6c <span style="white-space:pre">
</span><span style="white-space:pre"></span>0 <span style="white-space:pre">
</span>0 <span style="white-space:pre"></span> 0.3302 <span style="white-space:pre">
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<div class="PlainText">But if I use the coordinates of each of these three atoms and space group in w2web, I don't get the correct crystal structure.</div>
<div class="PlainText">Although I have managed to get the structure from other online sources but I am wondering if anyone can tell me how can </div>
<div class="PlainText">I use these info to <span style="font-size: 10pt;">generate the structure
</span><span style="font-size: 10pt;">using</span><span style="font-size: 10pt;"> w2web. </span></div>
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<div class="PlainText">Thanks,</div>
<div class="PlainText">Fhokrul</div>
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