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Dear Peter sir, </div>
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When I upload my cif structure in wien2k,and run the x nn program, it shows that atoms 7 and 8 are sit at the same equivalent position. If I do the cif2struct then the struct file generated has the same position of atom 7 and 8 and also some other atoms acquire
the same position. <span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">But in cif, when I check, the coordinates of atoms 6 and 7 are distinct. </span></div>
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<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">What could be the possible solution of it. </span></div>
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<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">NB: I tried with different conversion of format (using VESTA) but the error remains the same. </span></div>
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