<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt"><div>Dear Expert Users,</div><div style="font-size: 12pt;"><div style="font-size: 12pt;"><div class="yiv4283848323y_msg_container"><div id="yiv4283848323"><div><div style="font-size: 12pt;"><div id="yiv4283848323"><div><div style="font-size: 12pt;"><div id="yiv4283848323"><div id="yiv4283848323yui_3_13_0_ym1_1_1391056967718_2802"><div class="yiv4283848323yui_3_13_0_ym1_1_1391056967718_2728" id="yiv4283848323yui_3_13_0_ym1_1_1391056967718_2801" style="font-size: 12pt;"><div id="yiv4283848323"><div id="yiv4283848323yui_3_13_0_ym1_1_1391051198002_2552"><div class="yiv4283848323yui_3_13_0_ym1_1_1391051198002_2515 yiv4283848323yui_3_13_0_ym1_1_1391056967718_2729" id="yiv4283848323yui_3_13_0_ym1_1_1391051198002_2551" style="font-size: 12pt;"><div
id="yiv4283848323yui_3_13_0_ym1_1_1391049818457_4162"><br></div><div id="yiv4283848323yui_3_13_0_ym1_1_1391049818457_4162" class="yiv4283848323yui_3_13_0_ym1_1_1391051198002_2516 yiv4283848323yui_3_13_0_ym1_1_1391056967718_2730" style="background-color: transparent;">I am trying to generate a structure of the compound A(B4C4D2)X4Y10 with space group 63 cmcm using wien2k. </div><div id="yiv4283848323yui_3_13_0_ym1_1_1391049818457_4162" class="yiv4283848323yui_3_13_0_ym1_1_1391051198002_2517 yiv4283848323yui_3_13_0_ym1_1_1391056967718_2731" style="background-color: transparent;">here A(B4C4D2) is cation and <span id="yiv4283848323yui_3_13_0_ym1_1_1391049818457_4377" style="font-size: 12pt;">X4Y10</span><span id="yiv4283848323yui_3_13_0_ym1_6_1391049818457_36" style="font-size: 12pt;"> is an anion. I have some questions as follows,</span></div><br><div id="yiv4283848323yui_3_13_0_ym1_1_1391049818457_4162"
class="yiv4283848323yui_3_13_0_ym1_1_1391051198002_2517 yiv4283848323yui_3_13_0_ym1_1_1391056967718_2734" style="background-color: transparent;"><span id="yiv4283848323yui_3_13_0_ym1_6_1391056967718_21" style="font-size: 12pt;">Kindly guide me how can I make its structure file ?<br>For example if want to make structure file of spinel ZnAl2O4. we just have to select 3 atoms and their poisitions are as fallow <br>Zn 0.125, </span><span id="yiv4283848323yui_3_13_0_ym1_6_1391056967718_21" style="font-size: 12pt;">0.125, </span><span id="yiv4283848323yui_3_13_0_ym1_6_1391056967718_21" style="font-size: 12pt;"><span id="yiv4283848323yui_3_13_0_ym1_6_1391056967718_21" style="font-size: 12pt;"><span id="yiv4283848323yui_3_13_0_ym1_6_1391056967718_21" style="font-size: 12pt;">0.125<br>Al 0.5, 0.5, 0.5<br>O 0.25,0.25, 0.25
(Ideally)<br></span></span>Similarly, please indicate How many number of atoms have to select for </span><br><span id="yiv4283848323yui_3_13_0_ym1_6_1391056967718_21" style="font-size: 12pt;">A(B4C4D2)X4Y10 and what are their respective positions ?<br></span><br>Regards,<br>Junaid<br></div><div><br></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></body></html>