SCSD model generated from precomputed using D3h symmetry, available as triptycene

Table 1; Model atom positions

xyzat
0.0-0.0-1.2995C
0.0-0.01.2995C
-1.4017-0.0-0.7021C
-2.59740.0-1.4048C
-3.80420.0001-0.6953C
-3.80420.00010.6953C
-2.59740.01.4048C
-1.4017-0.00.7021C
0.70091.2139-0.7021C
1.29872.2494-1.4048C
1.9023.2946-0.6953C
1.9023.29460.6953C
1.29872.24941.4048C
0.70091.21390.7021C
0.7009-1.214-0.7021C
1.2987-2.2494-1.4048C
1.9021-3.2946-0.6953C
1.9021-3.29460.6953C
1.2987-2.24941.4048C
0.7009-1.2140.7021C

Figure 2; Model atom positions and symmetry operations



ADOBUS, ADOCAZ, AGUBIQ, AGUBIQ01, AGUBUC, AGUMOH, AHIROA, AJEQUD, AJUCAK, AJUCEO, AJUCIS, AKUDOB, ANIDUY, ANIFAG, ANIFEK, ANIFIO, ANIFOU, ANIFOU01, ANIFUA, ANIGAH, APABUQ, APESEU, APOVIL, APOXEJ, AQECOP, AQECUV, AQEDAC, ASILIZ, ASILOF, ASILUL, ASIMAS, AWOZUJ, AYOCOG, AYOCUM, AYURES, AZIVEM, AZIVIQ, AZIVOW, AZIVUC, AZIWAJ, AZIWEN, AZIWOX, BABQOK, BACVEI, BACVIM, BAJNUW, BAJPAE, BAJPEI, BANDEA, BANDEA01, BATJEM, BAWWAX, BAYGOA, BAYGUG, BEDXUE, BEDYAL, BEHJOO, BEMRUG, BIFPOX, BILXUS, BIQRUR, BIRQUR, BIRREC, BIRRIG, BOCWAS, BODTET, BODTIX, BOJYEE, BOWCAU, BOWCEW, BOWCEY, BOWCIA, BRIFTY, BTRPYC, BTRYPT, BUBNAO, BUBNES, BUFYOR, BUPFAW, BUPFEA, BUVLAI, BUVWAR, BUVWEV, BUVWIZ, CACGUL, CACHAS, CACHEW, CACHIA, CACHOG, CEBKAY, CEDGAU, CEDGEY, CEMNUD, CEMPEQ, CEMPIU, CEQJAK, CERTID, CETTRP10, CEZDOA, CIDJAA, CIQGOB, CIQGUH, CIQNEY, CIYSUZ, CIZTUA, CORBER, CORBIV, CORBOB, COXXEV, COXXIZ, COYFII, CUQDOH, DAMNEM, DAMNIQ, DAVSIF, DAXPOK, DEBXIT, DEBXIT01, DEBXIT02, DEBXIT03, DEBXIT04, DEBXIT05, DEBXIT06, DEJFIK, DERGEM, DESJIX, DESJOD, DESSUS, DETSIH, DEWDAK01, DEYPUS, DEYRAA, DEZSUX, DIGCAA, DIHGEH, DIHGIL, DIHGOR, DIHHOT, DIJLUG, DIJMAN, DIQJES, DIQJIW, DISGUI, DIXQOQ, DMXCTY, DOCWID, DOCWOJ, DOCWUP, DOCXAW, DODDIL, DUKZUH, DULBAQ, ECEQAF, ECEQEJ, ECEQIN, ECEVEO, ECEVIS, EDELIK, EHUGUL, EHUHAS, EHUHEW, EHUHIA, EHUHOG, EHUHUM, EKUKUR, ENILES, ENILIW, ENIMAP, ENIMET, ENIMIX, ENIMOD, EPECEJ, EPECIN, EPECOT, EPECUZ, EQALIT, EQALOZ, ETHANT01, ETIXAI, ETIXEM, ETIXIQ, EVEBAI, EVEBEM, EXIROU, FABSAF, FABSEJ, FABSIN, FAHVUI, FAHWOD, FAMXOJ, FAMXUP, FATSOI, FEGWOG, FEQXAC, FIBPUB, FIBQAI, FIBTUG, FIBVAO, FIBVES, FIBVIW, FIBVOC, FIRCUG, FIRDAN, FIVYIV, FIVYOB, FIWSEM, FIWXIU, FIWYER, FIWYIV, FIWYOB, FUHXOX, FUMMIM, FUPHIJ, FUTKEL, FUXFAG, FUXFEK, FUXFIO, FUYRUO, FUYSAV, FUYSEZ, FUYSID, GAMJAH, GAMJEL, GARSOK, GASGEO, GASGIS, GAVFEQ, GAVFIU, GEBPIO, GEHKIQ, GEKSOF, GEKSUL, GEKTAS, GEKTEW, GEPSOM, GEQWEG, GEQWIK, GEQWOQ, GEWSIK, GEXPOR, GILNIB, GIMDIS, GIMFAM, GIMFEQ, GOWROC, GOXGUY, GUBXUZ, GUBYAG, GUBYEK, GUCJEW, GUCJIA, GUGPOQ, GUHMUT, GULSUC, GULTAJ, GULTEN, GULTIR, GULTOX, GURLIQ, HACRIO, HACROU, HACRUA, HAFZUJ, HAGQOW, HAVTIK, HAZLEC, HEFKIM, HEKREX, HERFUF, HEXTIQ, HEXTOW, HIBKEK, HIBKIO, HIBKOU, HIPQOM, HIYKAD, HIZTOA, HIZTUG, HOCTAX, HOPLEE, HOPLII, HOPLOO, HOPLUU, HOPMAB, HOPPUA, HOPQAH, HOPQEL, HOWJAF, HUHZAO, HUHZES, HUHZES01, IBIZOK, IBIZUQ, IBOBAE, ICUHIZ, IGETOG, IGETUM, IGEVAU, IJEDEI, IJEDIM, IJEDOS, IJEDUY, INUFEE, INUZOI, INUZUO, IPABAE, IPABEI, IPABIM, IPABOS, IPABUY, IPACAF, IPAHOY, IPOLAA, ISOXIX, ISOXOD, ISOXUJ, ISOYAQ, ISOYEU, ISOYIY, ITONOW, ITONUC, ITOPAK, ITOPEO, ITOPOY, ITOQEP, ITUPIY, IWALUO, IWAMAV, IWAMEZ, IWAMID, IWUMIX, IWUNUL, IXAHAS, IXASEF, IXUXAB, IXUXAB01, IXUXAB02, IXUXAB04, IYEVIS, IYEVOY, IZARAD, JASKOE, JASSII, JATYIN, JEKGEM, JIPTEI, JIPTIM, JIPTOS, JIPTUY, JIWDAV, JIZDUU, JIZFAC, JIZFEG, JOHTOR, JOHTOR01, JOSXAT, JOSXEX, JOSXIB, JOSXOH, JOSXUN, JOSYAU, JOSYIC, JOSYOI, JOSYUO, JOTHOR, JOTHUX, JOTJAF, JOTJEJ, JOTJIN, JOTJOT, JUCQOQ, JUJNOU, KANKUI, KASDUG, KAXDIZ, KAXTAH, KAXTEL, KAYPOQ, KEKVII, KETSEH, KEXYUK, KEYVOA, KEYVUG, KEYWAN, KIRWAJ, KIRWAJ01, KIVCEZ, KIVCID, KIVCOJ, KIVCUP, KIVDAW, KOKBOC, KOKBUI, KOKCAP, KOKCET, KOKCIX, KUQKOY, KUXGIU, KUXGOA, KUXGUG, LACNUB, LACQUB, LACRAI, LACRIQ, LAKHAI, LATCER01, LEHZII, LELQIF, LEYHIJ, LICJUE, LIJWEH, LISTOX, LITRAI, LITREM, LITRIQ, LITROW, LITRUC, LITSAJ, LOBBIQ, LOBBOW, LOBBUC, LOFZIR, LOJVIQ, LOJVOW, LOSROC, LOSRUI, LOSSAP, LOSSET, LOXPUL, LUMLIO, LUYHET, MANQOI, MANQUO, MAZNUX, MAZPEJ, MAZQEK, MAZQIO, MERJEB, MIFRUO, MIHPEB, MIHPIF, MIHPOL, MIHPUR, MIRSAK, MIRSEO, MIRSIS, MIWVOE, MIWWEW, MIWWIA, MIWWOG, MOATPB10, MOBDEO, MODKAT, MUHCOI, MUHCUO, MUHMAG, MUHMIO, MUNHEJ, MUSTEB, MUSTIF, MUSTUR, MUWKUM, MUWLAT, MUWPOL, NAHNAM, NANZUZ, NAVXOA, NAVXUG, NAVYAN, NAVYIV, NAVYOB, NAVZAO, NAVZOC, NEPYIR, NIDNUM, NIDPAU, NIFJAO, NIHXAF, NIHXEJ, NIHXIN, NIHXOT, NIHXUZ, NIHYAG, NIKFOF, NIKFUL, NIKGAS, NIKGEW, NISBAT, NITCUO, NITDAV, NIWDII, NIWDOO, NIWDUU, NIWFAC, NIWFEG, NOGWAH, NOGWEL, NOKRUD, NOKSAK, NOKSEO, NORROE, NORRUK, NOTLIU, NOZCIR, NOZCOX, NOZCUD, NUJLOT, NUJLUZ, NUJMAG, NUJMEK, NUTBUB, OCITUQ, OCOKEY, OCUGUP, OCUMAD, OCUMEH, OHATEW, OHATIA, OJOYUI, OJOZAP, OMAGIU, OMAGOA, OMINAA, ONASAY, ONASEC, OPOZAW, ORAYUD, OYAWOC, OYAWUI, OYIRUL, OYISAS, PACBON, PAGHAJ, PAGHAJ01, PAGHAJ02, PAJXUV, PANWEG10, PANWIK10, PANWUW10, PANXAD10, PEBYUR, PEBZAY, PETLEI, PEWBIE, PIGKOF, PIGKUL, POYFOA, PUKYIE, PUKYOK, PUKYUQ, PUQDUD, PUQFAL, PUQFIT, PUSFEQ, PUSFOA, QABGOS, QAVSUC, QECBEF, QEGCOW, QEGCUC, QEGDAJ, QEGDEN, QEGDIR, QEGDOX, QEGDUD, QIBSEB, QIBTEC, QIWCAC, QIWCEG, QIWCIK, QIWXOJ, QOMVET, QOZZUC, QUBBAS, QUBBEW, QUBCAT, QUJYEB, QUJYIF, QUKBUW, QUKTEY, QUKTIC, QUKVUQ, QUNVOM, QUNVUS, QUNWAZ, QUTVIL, QUTVOR, RAJCUA, RAJDAH, RAJDEL, RARPOS, RASJIH, RASJON, RASJUT, RAWXOD, RAWXUJ, REBSID, REBSOJ, REBSUP, REGJOD, REGJUJ, REGKAQ, RELVAI, REWCON, REWDEE, REZDEH, REZDIL, RIGYUD, RIRLOT, RIRLUZ, ROCYOA, ROCYUG, ROCZIV, RODLIH, RODLUT, ROHYAP, ROHYET, ROHYIX, ROHYOD, ROHYUJ, ROHZAQ, ROHZEU, ROHZIY, ROHZOE, ROHZUK, ROJBAU, ROJBEY, ROJBIC, ROJBOI, ROJBUO, RUHZUQ, RUJBAA, RUJBEE, RUJBII, RUJBOO, RUKPOE, SAMYOX, SAMYUD, SAMZAK, SANYUB, SATJAA, SATJEE, SELMUT, SELNAA, SELNEE, SEMDIA, SEMFAU, SEMXUD, SEPTEO, SEPTIS, SEPTIS01, SEQYUJ, SEQZAQ, SEQZEU, SILSAH, SILSEL, SILSOV, SIWDUX, SIXTID, SIXTOJ, SIYGEN, SODBIZ, SOJPEO, SONPER, SONPIV, SOZZIS, SULNAQ, SULTEA, SULTEA01, SUQBEL, TATVER, TCBTPC, TERYOH, TERZAU, TETMEL, TETMIP, TEWSIY, TEWSOE, TEWSUK, TICJUK, TIDTUW, TIJTAJ, TILCOH, TIPPUE, TIQVEX, TIQVIB, TIQVOH, TIYHOZ, TIYHUF, TOGNEK, TONKOX, TONKUD, TONLAK, TONWOL, TOYFEV, TRIPCN, TRIPCN02, TRIPCN03, TRIPCN04, TRIPCN05, TRIPCN06, TRIPCN07, TRIPOM, TUCMIN, TUCMOT, TURFOD, UBUMIP, UBUMIP01, UBUMUB, UBUQEP, UBUQIT, UDEFUF, UDEGAM, ULIRIQ, ULIROW, ULOZIF, ULOZIF01, ULOZUR, UYESIB, UYUFOK, VAKVOV, VAKVUB, VAKWAI, VAKWEM, VAWXEW, VAWXEW10, VAYLIS, VAYLOY, VEGTIL, VERHUW, VERJAE, VEYHOZ, VEZLOC, VIMRIU, VIMROA, VIMRUG, VIMSAN, VIPMOZ, VIZBAK, VIZNUP, VOGXEU, VOLVID, VOMJEP, VOMJIT, VOMKIS, VOMKIU, VOSHAP, VOSHET, VOSHIX, VOSHOD, VOSHUJ, VOSJAR, VOSJEV, VOSJIZ, VOSJOF, VOSJUL, VOSKAS, VOSKEW, VOSKIA, VOSKOG, VOSKUM, VOVVUZ, VUDRIV10, VUQWIP, VUQWOV, VUQWUB, WELWEP, WICRUX, WICSAE, WICSEI, WICSIM, WILYIZ10, WILYOF10, WIRKAL, WIRKEP, WIRKIT, WIRKOZ, WIRKUF, WIRLOA, WIRMOB, WIYSOO, WIYVUY, WOLJIT, WOLJOZ, WOLTIB, WOMKAM, WOMKEQ, WOMKIU, WOMKOA, WOTCAL, WOTCEP, WOTCIT, WOTCOZ, WUFWUP, WUFXEA, WUFXIE, WUFXOK, WUFXUQ, WUHDUA, WUHFAI, WUHFEM, WURMEC, WURMIG, XADNOI, XAKPUX, XAKQAE, XAKQEI, XAKQIM, XAKQOS, XANWIU, XASHUW, XASJAE, XASLEL, XAYMOC, XAYMUI, XEZCIR, XEZCOX, XEZCUD, XEZDAK, XEZDEO, XICYIU, XICYUG, XICZAN, XIDGEZ, XIDGID, XIDGOJ, XIDGUP, XINMIS, XINMOY, XINMUE, XINNAL, XINNEP, XOLVAV, XOLVEZ, XOYKEB, XUWQUD, XUWRAK, XUWREO, XUYJOR, XUYJUX, XUYKAE, XUYKEI, XUYKIM, YAFQAY, YAPWIX, YASDII, YEKVUG, YEPMEO, YIDXIV, YIDXUH, YIGPEM, YIGPIQ, YIGPOW, YIGQEN, YIGZIA, YITQEX, YOQKOF, YOQKUL, YOQLAS, YOXVOX, YUDSAT, YUDSOH, YUDSUN, YUKHES, YUMCIT, YUMCOZ, YUMCUF, YUMDAM, YUQTEL, YURRUA, YUXJOR, YUXJUX, YUXNOW, YUXNUC, YUXPAK, YUXPEO, ZEDQUU, ZEDREF, ZICJOK, ZICJOK01, ZICJUQ, ZICYIT, ZIGHOM, ZIHXOG, ZIXRIH, ZIXRON, ZIXSEH, ZIXSIL, ZIZZAM, ZIZZIU, ZOTDOB, ZOWFEY, ZUCNOC, ZUCNUI, ZUCPAQ, ZUCPEU, ZUDDUA, ZUDMES, ZUDMIW, ZUPHUP, ZUPJAX, ZUPJEB, ZUPJIF, ZUPJOL, ZUPJUR, ZUPKAY, ZUPKEC, ZUPKIG