SCSD model generated from precomputed using D2h symmetry, available as blue_box

Table 1; Model atom positions

xyzat
0.73833.4705-0.0C
-5.11351.38860.0C
-4.94212.88460.0C
-2.82293.30261.1591C
-1.47623.43441.1823C
-0.73833.47050.0C
-1.47623.4344-1.1823C
-2.82293.3026-1.1591C
1.47623.43441.1823C
2.82293.30261.1591C
2.82293.3026-1.1591C
1.47623.4344-1.1823C
4.94212.8846-0.0C
5.11351.3886-0.0C
5.15030.6819-1.1896C
5.1503-0.6819-1.1896C
5.1503-0.68191.1896C
5.15030.68191.1896C
-1.4762-3.4344-1.1823C
-2.8229-3.3026-1.1591C
-2.8229-3.30261.1591C
-1.4762-3.43441.1823C
-4.9421-2.88460.0C
-5.1135-1.38860.0C
-5.1503-0.68191.1896C
-5.15030.68191.1896C
-5.15030.6819-1.1896C
-5.1503-0.6819-1.1896C
-0.7383-3.47050.0C
5.1135-1.3886-0.0C
4.9421-2.8846-0.0C
2.8229-3.3026-1.1591C
1.4762-3.4344-1.1823C
0.7383-3.4705-0.0C
1.4762-3.43441.1823C
2.8229-3.30261.1591C
-3.48193.19750.0N
3.48193.1975-0.0N
-3.4819-3.19750.0N
3.4819-3.1975-0.0N

Figure 2; Model atom positions and symmetry operations



ADOMOW, ADOMUC, ADONAJ, ADONEN, AFEKUT, AFELAA, AJOKIU, AJONET, AJONET01, AROBUG, AROCAN, AROCER, AROCIV, AROCOB, AROCUH, AZUFIM, BAQWUO, BIJGUY, BIWVAE, BIWWIN, BOSPOQ, BUPTEN, BUPTIR, CIXCUH, CUSYEV, CUSYIZ, DELDUW, DOQTIO, DOYKIM, DUFTIK, DUFVEI, EHILEO, EJAZAS, EJAZEW, ESAZOP, ESEBAH, ESOPEI, EZUGEM, FACMAZ, FACMIH, FACMIH01, FEJSOC, FERCUA, FESLIZ, FEXMOL, GERDEO, GERDIS, GESWAD, GODDOT, GUBHIV, GUMWIW, HAYBEO, HIHXUS, HIHYAZ, HITLIF, HITLOL, HOWJAF, HUDVOU, HUDVUA, HUDWAH, HUDWEL, HUDWIP, HUKZUJ, IPUCEC, IPUCIG, IPUCOM, IREKIA, JEKNUJ, JITFIE, JITFOK, JITFUQ, JITGAX, JITGEB, JITGIF, JUPJIQ, JUSHUA, JUSJAI, JUSJAI01, KEBKUX, KEBKUX10, KIQDUJ, KIRTAG, KIRTEK, KIRTIO, LEJQIC, LEJQOI, LEJQUO, LIHBUZ, LIWFII, LIWFOO, LIWFUU, MEFGUB, MIRBIA, MIRBOG, MIRCAT, MUFDUN, MUJCOK, NESTEM, NESTIQ, NESTOW, NESTUC, NILKIE, NINQAD, NIWJEI, NOHHEX, NUXKEW, NUXKIA, NUXXAH, OJOZAP, ONEYUC, PEMQUV, PEMYEN, PEMYIR, PEMYOX, PEMYUD, PORDUV, PORFAD, POVSUO, PUKNOY, PUKNUE, PUKPAM, PUXGEX, REVVIY, RISSER, RISSIV, RISSOB, RISSUH, RISTAO, RISTES, RISTIW, ROBZUD, ROFBAR, ROFBEV, ROFBIZ, ROFJOL, RONFOP, RONFUV, RONGAC, RONGEG, RONGIK, RULGAG, RUWWOV, RUWWUB, RUWXAI, SARFEX, SAZFIK, SEJCUF, SICKIZ, SIHRIN, SIJNIL, SIJNOR, SIJNUX, SOHNEI, SOVKOD, SOVKUJ, SOVLEU, TEYMAL, TEYMAL10, TIVYEC, TIVYEC01, TUQYUA, TUQZAH, TURYEM, UBIHIW, UBOSUC, UDAFUB, UDAGAI, UJEVAJ, UJEVEN, UJEVIR, UJEVOX, UJEVUD, UJEWAK, UQOTOL, UYUFOK, VAFRID, VAFRID10, VAFROJ, VAFRUP, VAFRUP10, VAFSAW, VALWEK, VAZQES, VEPPOW, VIFFAS, VOLMEO, VONHUB, VOTNEX, VOTNIB, VOTNOH, VOTNUN, VOTPAV, WAXVIC, WEBFUG, WEBGER, WEBGIV, WEBQUR, WEBRAY, WUMDEO, WURMEC, WURMIG, WUWLOQ, WUWLUW, XAHBEP, XAHBIT, XERJEL, YEKXUI, YEKYAP, YENMAH, YENMEL, YEQBAA, YEQBEE, YEZGER, YOCMAE, YOLBIL, YOWJOL, YOWJUR, YUVDUO, YUVFAW, ZIRPAR, ZOCXUN, ZOFRAQ, ZOPDAJ, ZORHAP, ZORHET