SCSD model generated from precomputed using D6h symmetry, available as cb6
Table 1; Model atom positions
| x | y | z | at |
| -3.448 | 1.9907 | 1.9407 | C |
| -3.9802 | 3.1946 | 0.0 | C |
| -4.7567 | 1.8496 | 0.0 | C |
| -3.448 | 1.9907 | -1.9407 | C |
| -4.8951 | -0.0 | 1.7551 | C |
| -4.8951 | -0.0 | -1.7551 | C |
| -3.448 | -1.9907 | 1.9407 | C |
| -4.7567 | -1.8496 | 0.0 | C |
| -3.9802 | -3.1946 | 0.0 | C |
| -3.448 | -1.9907 | -1.9407 | C |
| -2.4476 | -4.2393 | 1.7551 | C |
| -2.4476 | -4.2393 | -1.7551 | C |
| 0.0 | -3.9814 | 1.9407 | C |
| -0.7765 | -5.0443 | -0.0 | C |
| 0.7765 | -5.0443 | -0.0 | C |
| 0.0 | -3.9814 | -1.9407 | C |
| -2.4476 | 4.2393 | -1.7551 | C |
| -2.4476 | 4.2393 | 1.7551 | C |
| 3.448 | -1.9907 | -1.9407 | C |
| 3.9802 | -3.1946 | -0.0 | C |
| 4.7567 | -1.8496 | -0.0 | C |
| 3.448 | -1.9907 | 1.9407 | C |
| 4.8951 | 0.0 | -1.7551 | C |
| 4.8951 | 0.0 | 1.7551 | C |
| 3.448 | 1.9907 | -1.9407 | C |
| 4.7567 | 1.8496 | -0.0 | C |
| 3.9802 | 3.1946 | -0.0 | C |
| 3.448 | 1.9907 | 1.9407 | C |
| 2.4476 | 4.2393 | -1.7551 | C |
| 2.4476 | 4.2393 | 1.7551 | C |
| -0.0 | 3.9814 | -1.9407 | C |
| 0.7765 | 5.0443 | 0.0 | C |
| -0.7765 | 5.0443 | 0.0 | C |
| -0.0 | 3.9814 | 1.9407 | C |
| 2.4476 | -4.2393 | 1.7551 | C |
| 2.4476 | -4.2393 | -1.7551 | C |
| -3.2083 | 3.1306 | 1.2219 | N |
| -4.3153 | 1.2131 | 1.2219 | N |
| -4.3153 | 1.2131 | -1.2219 | N |
| -3.2083 | 3.1306 | -1.2219 | N |
| -4.3153 | -1.2131 | 1.2219 | N |
| -3.2083 | -3.1306 | 1.2219 | N |
| -3.2083 | -3.1306 | -1.2219 | N |
| -4.3153 | -1.2131 | -1.2219 | N |
| -1.107 | -4.3437 | 1.2219 | N |
| 1.107 | -4.3437 | 1.2219 | N |
| 1.107 | -4.3437 | -1.2219 | N |
| -1.107 | -4.3437 | -1.2219 | N |
| 3.2083 | -3.1306 | -1.2219 | N |
| 4.3153 | -1.2131 | -1.2219 | N |
| 4.3153 | -1.2131 | 1.2219 | N |
| 3.2083 | -3.1306 | 1.2219 | N |
| 4.3153 | 1.2131 | -1.2219 | N |
| 3.2083 | 3.1306 | -1.2219 | N |
| 3.2083 | 3.1306 | 1.2219 | N |
| 4.3153 | 1.2131 | 1.2219 | N |
| 1.107 | 4.3437 | -1.2219 | N |
| -1.107 | 4.3437 | -1.2219 | N |
| -1.107 | 4.3437 | 1.2219 | N |
| 1.107 | 4.3437 | 1.2219 | N |
| -2.9961 | 1.7298 | 3.0445 | O |
| -2.9961 | 1.7298 | -3.0445 | O |
| -2.9961 | -1.7298 | 3.0445 | O |
| -2.9961 | -1.7298 | -3.0445 | O |
| 0.0 | -3.4596 | 3.0445 | O |
| 0.0 | -3.4596 | -3.0445 | O |
| 2.9961 | -1.7298 | -3.0445 | O |
| 2.9961 | -1.7298 | 3.0445 | O |
| 2.9961 | 1.7298 | -3.0445 | O |
| 2.9961 | 1.7298 | 3.0445 | O |
| -0.0 | 3.4596 | -3.0445 | O |
| -0.0 | 3.4596 | 3.0445 | O |
Figure 2; Model atom positions and symmetry operations
ACIHOK, ADOFAA, ADOFEE, ADOFII, ADOFOO, ADOFUU, ADOGAB, ADOGEF, AHIQUE, AHIRAL, AHIREP, AHIRIT, AHIROZ, AHIRUF, AHISAM, AHISEQ, AHUPUQ, AJOQEX, ARIBEI, ARIBIM, ATEWED, ATEWIH, ATEWON, AWEBAG, AWEBEK, AWEBIO, AWEBUA, AWECAH, AWECEL, AWECIP, AWECOV, BATVUP, BATWIE, BAYJOD, BEBDOB, BEBDOB10, BENWOI, BIKXUQ, BOSMAY, BOSMEC, BOSMIG, BOYMUZ, BUNMIJ, CELMOX, CELMUD, CELNAK, CERNIZ, CERNOF, CERQAU, CICGAX, CIKJOW, CIKJUC, CINDAF, CISWOQ, CISWOQ01, CISXAD01, CIYXIS, CIYXOY, CIZWIT, CIZWOZ, CIZWUF, CONCUF, COPWIO, COPWOU, COPWUA, COPXAH, DASSAT, DASSIB, DASSOH, DATYOO, DAXLOG01, DAXLUM, DAXLUM01, DAXLUM02, DAXLUM03, DERTAY, DEVVUW, DEVWAD, DIDMEL, DIDMIP, DIDMOV, DIMVOM, DIWNOP, DIWPUX, DOJWOQ, DOJWUW, DOTXOC, DOTXUI, DOVCUP, DOVDUQ, DOZTES, DUDPUQ, DUDQAX, DUGVEI, DUGVIM, DUGVOS, DUGVUY, DUGWAF, DUGWEJ, DUGWIN, DUGWOT, DUGWUZ, DUGXAG, ECEFUP, EGEYEV, EGEYIZ, EGEYOF, EGEYUL, EGEZAS, EGEZEW, EGEZIA, EGEZOG, EGEZUM, EGOTUS, EGUFOE, EGUGAR, EGUGIZ, EKUNEF, EKUNIJ, EKUNOP, EKUWUE, ENIDIP, ENIDOV, ENIDUB, EPAGOT, EPAGUZ, EPAHAG, EPAWAU, EPAWEY, EPEJIT, EQOJEB, EROCEV, EROCIZ, EWEJUL, EZOCIH, EZOCON, FEVNUR, FEVPAZ, FEVPED, FEVPIH, FOPYUG, FOPZAN, FOPZER, GABWIS, GAHSOA, GAHSUG, GAHTAN, GAHTER, GAHTIV, GAHTOB, GAHTUH, GAHVAP, GANHEK, GANHIO, GANHOU, GEMNET, GEMNIX, GIJCIN, GIJCOT, GIKFAJ, GIRCAN, GIWWAL, GIWWEP, GIWWIT, GIZKUW, GOHVEG, GOHVIK, GOJJIB, GOJJOH, GOJJUN, GOKGEU, GORJAB, GORJEF, GORJIJ, GOVGOP, GOVGUV, GOVHAC, GUCQIF, GUCQOL, GUHLUR, GUMWAM, GUMWEQ, GUMWIU, GUMWOA, GUQCEA, GUVJUE, GUVKAL, GUWMES, GUXYIJ, HASMOF, HASMUL, HASNAS, HASNEW, HASNIA, HASNOG, HASNUM, HASPAU, HASPEY, HASPIC, HASPOI, HASPUO, HASQAV, HEPGER, HEPGIV, HEPGOB, HIMXUX, HOBRIA, HOVXEW, HOWNEO, HOXWEZ, HUGPII, HUGPOO, HUGPUU, HUGQAB, HUGQEF, HUGQIJ, HUGZEO, HUGZIS, HUGZOY, HUMGON, HUMGUT, HUYMAR, HUYMEV, IBAZER, IBAZIV, IBIDEE, IBIDII, IBIDUU, IBIFUW, IBIGAD, IBIGIL, IDEBEY, IGOPEZ, IGOPID, IHAGAC, IHAGEG, IHAGIK, IJAXIC, IJAXOI, IJAXUO, IKITOL, IKITUR, IMOBOB, IPICAN, IPICER, IPICIV, IPICOB, IPICUH, IPIDAO, IPIDES, IPIDIW, IPIDOC, IPIDUI, IPIFAQ, IPIFEU, IPIFIY, IPIFOE, IPIGAR, IPIGEV, IPIGIZ, IPIGOF, IPIGUL, IPIHAS, IPIHEW, IRIHAU, IRIHEY, IRIHIC, IRIHOI, IRIHUO, ITUTEW, ITUTIA, IVOPEP, IVOPIT, IVOPOZ, IVOPUF, IVOQAM, IWUVEB, IWUVIF, IWUVOL, IXUMAR, IXUMEV, IXUREA, IXURIE, IXUROK, IXURUQ, IXURUQ01, IXUSAX, IXUSEB, IXUSIF, IXUSUR, IYESUB, IYOWUQ, IZABOC, IZAMIG, IZAMOM, IZAMUS, JAQQUQ, JAQTON, JAWFOF, JAWFUL, JAWGAS, JAWGEW, JAWGIA, JAWGOG, JAYNEF, JAYNIJ, JAYNOP, JAYNUV, JENPOK, JEVZAM, JEVZAM01, JIJNAU, JIJNEY, JIJNIC, JIJPOK, JIVVOC, JOKCAP, JOQTOB, JOQTUH, JOQVAP, JOQVET, JOQVIX, JOQVUJ, JOQWAQ, JOQWEU, JOQWIY, JOQWOE, JORQUE, JOSBEA, JOSBIE, JOSBOK, JOSBUQ, JOSCAX, JOSCEB, JOSCIF, JOSCOL, JOSCUR, JOSDAY, JUHFOJ, JUHFUP, JUHGAW, JUHGEA, JUHGIE, JUHGOK, JUJDEZ, JUJDID, JUQBUU, JUQCAB, JUWQIB, JUWQOH, KAPNAT, KAXJOJ, KAXJUP, KENBUC, KEQDUH, KEQFAP, KIZXUP, KIZYAW, KIZYEA, KIZYUQ, KOBNEV, KOBNIZ, KODMAU, KODMEY, KODMIC, KODYUY, KUJBUP, KUJCAW, KUXSAY, LACGOM, LACNUZ, LACPAH, LAQZUB, LARBAK, LARBEO, LARBIS, LARBOY, LARBUE, LARCAL, LAVXUD, LAXXUG, LAXYAN, LEGREX, LEHPIA, LEHPOG, LEVLIJ, LEVLOP, LEVLUV, LEVMAC, LEVPOT, LEVPUZ, LEYTER, LEYTIV, LIJKEX, LIJKIB, LIJKOH, LIJKUN, LIXDED, LIXDIH, LUHMIK, MALMIX, MALMOD, MALMUJ, MALNAQ, MALNEU, MALNIY, MALNOE, MALNUK, MALPAS, MALPEW, MALPIA, MALPOG, MALYIK, MALYOQ, MANBIP, MANBOV, MANBUB, MANCAI, MANCEM, MANCIQ, MAPWUV, MAQKEV, MAQKIZ, MATYIS, MAVRIM, MAYBET, MAYBIX, MAYBOD, MEGZAZ, MEHCAF, MEKRUS, MEKSAZ, MEKSED, MEPJEZ, MEPJID, METSIQ, MIJHAQ, MIRJED, MITQOY, MORVIA, MORVOG, MORVUM, MORWAT, MUFPAE, MUHPIQ, MUMZIF, MUMZOL, MUMZUR, MUNBAA, MUNBEE, MUNBII, NAMYAC, NARBOZ, NEBDII, NELHIW, NELHOC, NELHUI, NELJAQ, NEMMIE, NEPCAO, NERKUR, NERLAY, NERLEC, NERLIG, NEVMUX, NEXQUC, NEXRAJ, NIZXUR, NOQNAK, NOQNEO, NORBAZ, NOSZOK, NUJCIH, NUJCON, OGAHIP, OGAHOV, OGAHUB, OGAJAJ, OGAJEN, OGAJIR, OGAJOX, OGAJUD, OGAKAK, OGAKEO, OGAKIS, OGAKOY, OGAKUE, OGALAL, OGALEP, OGALIT, OGALOZ, OGALUF, OGAMAM, OGAMEQ, OGAMIU, OGAMOA, OGAMUG, OQISIS, ORIHAZ, ORIHED, OVETOA, OVETUG, OVOBAD, OVOBEH, OVOBIL, OVOBOR, OVOBUX, OVOCAE, OVOCEI, OWAPEJ, OWAXER, OWORID02, OZOVEG, PAPQUS, PAPYAI, PAPYEM, PAPYIQ, PAPYOW, PAPYUC, PAPZAJ, PAWGAY, PAWGEC, PAWGIG, PAWGOM, PAWHIH, PAZFAZ, PEWVOD, PEWVUJ, PEYFEH, POSBAD, PUBQUA, PUBREL, PUBROV, PUCGEA, PUJSUL, PUJTAS, PUJYUR, PULQIY, PULQOE, PULQUK, PULRAR, PUNMUH, PUNNAO, PUNNES, PUNNIW, PUQHUF, PUQJER, PUQJIV, PUQJOB, PUQJUH, QABPOA, QABPUG, QABQAN, QAFQIZ, QAGGEM, QAGGIQ, QAQPIJ, QAQPOP, QAQPUV, QEKBIS, QEKBOY, QEKBUE, QEKCAL, QENFOH, QETBAT, QETBEX, QETBIB, QIMPUX, QIMQAE, QOGKIH, QOGKON, QOGKUT, QOZCAM, QOZCOA, QOZCUG, QUBBEV, QUBBIZ, QUQLOD, QUQLUJ, RAPJAU, REHTEF, REKHIY, REKHOE, RELJIE, RERYEV, RERYIZ, RESZUN, REWSAQ, RIPKUX, ROKFUT, ROKGAA, ROKGEE, ROKGII, ROLBUR, ROLCAY, RONCIH, ROZLUO, ROZMAV, RUGQOC, RUGQUI, RUGRAP, RUGRET, RULHUC, SARTEL, SARTIP, SARTOV, SAXCOM, SAZJUB, SAZKAI, SAZKEM, SEBWUS, SEGYIO, SEGYOU, SEGYUA, SEGZAH, SEGZEL, SEWSES, SEWSES01, SINKEG, SIRWAT, SISQIV, SISQOB, SISQUH, SIZDUC, SIZFAK, SIZFEO, SIZFIS, SOVJUJ, SOVKAQ, SOVKEU, SUHWOK, SUHWUQ, SUZPUA, SUZQAH, TADCEI, TADCIM, TAGJET, TAGRIF, TAGROL, TAGRUR, TAGSAY, TAGSEC, TAGSIG, TAGSUS, TAGTAZ, TALYAI, TEPLEH, TEPLIL, TEPLOR, TEPLUX, TEPMAE, TEPMEI, TEPMIM, TEPMOS, TEPMUY, TEPNAF, TEPNEJ, TEPNIN, TEPNOT, TEPNUZ, TEPPAH, TEQTER, TEQTIV, TIXNEW, TIXNIA, TIXNOG, TIXNUM, TIXPAU, TIXPEY, TIXPIC, TODNIL, TONSOF, TONSUL, TONTAS, TORWUT, TUBVUH, TUBWAO, TUDTOC, TUDTUI, TUTPOP, UCALEP, UCANOB, UCAROF, UCICER, UCITOR, UKESOT, UKUQIA, UPEMAF, UPICOM, UPOSEZ, UPOSID, UPOSOJ, UQONEV, UQONOF, UTINES, UTINIW, UTINOC, UTINUI, UTIPAQ, UTIPEU, UWATET, VABNEU, VABNIY, VAKLIF, VAKNAZ, VAKNED, VAKPIJ, VAKQOQ, VEHLUS, VEHMAZ, VEHMED, VEHMIH, VEHMON, VEHMUT, VEHNAA, VEHNEE, VEHNII, VEKJIH, VEKJON, VEWCOQ, VIDBIW, VIDBOC, VIDBUI, VIFWIQ, VIHKIJ, VIHKOP, VINVAS, VINVEW, VIWVEE, VIWVII, VIWVOO, VIWVUU, VODBAS, VOKVEZ, VONNES, VOWKIE, VOWKOK, VUQHOG, VUQHUM, VUQJAU, VUQJEY, VUQJIC, VUQJOI, VUQYAI, VUSYOY, VUSYUE, VUSZAL, VUYPEM, VUYPIQ, WAKSOR, WALHEZ, WALHOJ, WERDIH, WEYYAC, WIVCOU, WIVCUA, WIVDAH, WIVDEL, WIVDOV, WIWTIH, WIYMIA, WIYMOG, WOJPET, WOMSID, WOPNUL, WOPPAT, WOPPEX, WOPQAU, WOPQEY, WOPQIC, WOWLAV, WUKTOL, WUMGIU, XAGXEI, XAPGIG, XAVXUN, XEGYAL, XEMQAH, XEMQEL, XEXQAV, XEXQEZ, XEXYOP, XEZROK, XIGXIU, XIGXOA, XINVOI, XINVUO, XINWEZ, XIVSEA, XIVYUX, XIVZAE, XIVZEI, XIVZIM, XIVZOS, XIVZUY, XIWBAH, XIZZAI, XIZZEM, XIZZIQ, XOKBAD, XOKBEH, XOLGOV, XUBYAV, XUBYEZ, XUBYID, XUBYOJ, XUBYUP, XUBZAW, XUCYIF, XUCYOL, XUCYUR, XUCZAY, XUCZEC, XUDBEF, XUDPIW, XUDPOC, XUDPUI, XUHKOC, XUHKUI, XUHLAP, XUHLET, XUHLET01, XUJDIR, XUJSAY, XUXGAZ, XUXGED, YABCEM, YABCIQ, YABCOW, YAPNUZ, YAPPAH, YAQYAS, YAQYEW, YAQYIA, YAQYOG, YAQYUM, YARLOV, YARLUB, YARMAI, YARMEM, YARMIQ, YAXQOG, YAYFAI, YAYFEM, YAYFIQ, YEVLER, YEWTOM, YEWTUS, YEWVAA, YEWWAB, YEWWEF, YEWWIJ, YEWWOP, YEWWUV, YEWXAC, YEWXEG, YEWXIK, YICHAW, YICHEA, YIJFUV, YITSUS, YITTAZ, YITTED, YITTIH, YIZRUW, YIZSAD, YOFQEQ, YONWEE, YUDNER, YUFJEP, YUFJIT, ZAWBOQ, ZAWBUW, ZAWSAU, ZAWSEY, ZAWZAB, ZAWZEF, ZAXHOY, ZAYKUI, ZAYLAP, ZAYLET, ZAYLIX, ZECCIW, ZECCOC, ZECCUI, ZECDAP, ZECDET, ZEQJEM, ZEQJIQ, ZICSOV, ZICSUB, ZICTAI, ZICTEM, ZIDCEW, ZIDCIA, ZIDCOG, ZIFNIN, ZIFNOT, ZIFNUZ, ZIPYIJ, ZIPYOP, ZIQBIN, ZUJBEN