data_image0 _chemical_formula_structural BrAlSe2Br2Al2Se2Br2Al2Se2Br2Al2Se2Br2Al2Se2Br2Al2Se2Br2Al2Se2Br2Al2Se2Br2Al2Se2Br2Al2Se2Br2Al2Se2Br2Al2Se2Br2 _chemical_formula_sum "Br25 Al23 Se24" _cell_length_a 15.705695801486414 _cell_length_b 15.377473034424133 _cell_length_c 21.341805962036666 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 70.09582110420926 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br1 1.0 0.163044726827117 0.010943440355840989 0.4316584592881781 1.0000 Al Al1 1.0 0.956791980103944 0.12222230710562829 0.5404628835309332 1.0000 Se Se1 1.0 0.12329876024255694 0.13014937208936161 0.5110034769034728 1.0000 Se Se2 1.0 0.9856372492640213 0.9945215462408048 0.46380224042930007 1.0000 Br Br2 1.0 0.1052623452723863 0.18233113983600707 0.33286567278498785 1.0000 Br Br3 1.0 0.012816873684257313 0.0009124334603232485 0.6279311663613829 1.0000 Al Al2 1.0 0.5069057018437164 0.9977567616211054 0.4588954195076649 1.0000 Al Al3 1.0 0.2949120663042587 0.12262165011054763 0.5395978948775438 1.0000 Se Se3 1.0 0.4586888339741675 0.12708020283958138 0.5405809630413778 1.0000 Se Se4 1.0 0.3517054601555412 0.9936091238463506 0.46338175117848585 1.0000 Br Br4 1.0 0.47117912432461645 0.12159336460978303 0.3723486894284203 1.0000 Br Br5 1.0 0.31946980867993646 0.0023919698825444423 0.627669127618741 1.0000 Al Al4 1.0 0.4196325703427004 0.24759491426270125 0.4536942640760462 1.0000 Al Al5 1.0 0.20742034909852275 0.3727248379220124 0.5422678052919371 1.0000 Se Se5 1.0 0.37413845784192545 0.3737109756026805 0.5368385759096574 1.0000 Se Se6 1.0 0.2550392862132128 0.2499312733123008 0.45794833564625437 1.0000 Br Br6 1.0 0.38428689789306614 0.37102203030268854 0.36928566186101186 1.0000 Br Br7 1.0 0.2379667674603388 0.24527097665103237 0.6243310075867847 1.0000 Al Al6 1.0 0.33603311650827017 0.4958241594078245 0.45231542528178736 1.0000 Al Al7 1.0 0.12603765879416806 0.6234240894577309 0.548250574520892 1.0000 Se Se7 1.0 0.29215818690737144 0.623205491515422 0.5340376676778831 1.0000 Se Se8 1.0 0.1673495289941954 0.5012837078214832 0.4631327427295545 1.0000 Br Br8 1.0 0.2989654225064337 0.6145702634798117 0.3678741009062554 1.0000 Br Br9 1.0 0.16439715284143752 0.4943130714266725 0.6294254475884135 1.0000 Al Al8 1.0 0.25129924723988045 0.7475346875120676 0.44706125699820976 1.0000 Al Al9 1.0 0.04683201230129128 0.8727481301258926 0.5476024194385805 1.0000 Se Se9 1.0 0.21588848863811724 0.8533457804494595 0.5383362635962973 1.0000 Se Se10 1.0 0.08172157972095494 0.7483372977556935 0.46562027869977346 1.0000 Br Br10 1.0 0.2184119091235464 0.8484511024586321 0.35627786671500505 1.0000 Br Br11 1.0 0.08271159581567063 0.7463699805952774 0.6330411214511251 1.0000 Al Al10 1.0 0.8268044082407404 0.001002629283533203 0.45921188522813927 1.0000 Al Al11 1.0 0.6242892517907035 0.1263801828840405 0.5574737696127292 1.0000 Se Se11 1.0 0.7892000059004387 0.12854956557850858 0.5412823469836097 1.0000 Se Se12 1.0 0.6667381587579345 0.9993851713284226 0.4763198947681696 1.0000 Br Br12 1.0 0.780163951554557 0.12595207622755666 0.37293883067618555 1.0000 Br Br13 1.0 0.6664966960183395 0.9999829959090778 0.640968932729185 1.0000 Al Al12 1.0 0.7474283756405002 0.25064567059811466 0.45473186839310303 1.0000 Al Al13 1.0 0.5412790568874742 0.3757632696458487 0.553755497591085 1.0000 Se Se13 1.0 0.7096456526998521 0.3747357608307632 0.5386993950020361 1.0000 Se Se14 1.0 0.5835338069332747 0.2495889513470046 0.47294976479285544 1.0000 Br Br14 1.0 0.7014670014555571 0.3768887024103935 0.3712037343087146 1.0000 Br Br15 1.0 0.5815363728592362 0.2526576772704088 0.6396193876133109 1.0000 Al Al14 1.0 0.665944994714208 0.5001412612833809 0.455608185984654 1.0000 Al Al15 1.0 0.4577104836116676 0.6255360451335077 0.5519602774457912 1.0000 Se Se15 1.0 0.6258710390965857 0.6229411839264386 0.5403519374374203 1.0000 Se Se16 1.0 0.5011297627292632 0.4987212682272935 0.47044514919963504 1.0000 Br Br16 1.0 0.6251227531856659 0.6251388689640581 0.3728586659514644 1.0000 Br Br17 1.0 0.4973437262945635 0.5003221135465971 0.6366835165763679 1.0000 Al Al16 1.0 0.5849078600531167 0.7496256761325936 0.45800489177848364 1.0000 Al Al17 1.0 0.37168131422392786 0.8736548736547095 0.5480222929964199 1.0000 Se Se17 1.0 0.5443340542097975 0.8723206894963981 0.5430767893128166 1.0000 Se Se18 1.0 0.4206195621817561 0.7469578382860651 0.46743007867962083 1.0000 Br Br18 1.0 0.5532625714607226 0.8717703001463616 0.374003626693937 1.0000 Br Br19 1.0 0.4176305217342957 0.7494127992445476 0.6351240646696642 1.0000 Al Al18 1.0 0.07819883964062187 0.2624826273112567 0.4287121584872125 1.0000 Al Al19 1.0 0.8779213331464493 0.3720730367989374 0.5438411426214831 1.0000 Se Se19 1.0 0.043134190385057364 0.37099058871083074 0.5229591272572374 1.0000 Se Se20 1.0 0.911329842779407 0.2505528964274323 0.4591330577848107 1.0000 Br Br20 1.0 0.029514941708642734 0.4049980498905605 0.3595409607626165 1.0000 Br Br21 1.0 0.9331254215693177 0.24416212124983727 0.6254149383488369 1.0000 Al Al20 1.0 0.9962050082793897 0.5096508596481054 0.44942821601235594 1.0000 Al Al21 1.0 0.7927438077815522 0.6216038501451687 0.5527981709226512 1.0000 Se Se21 1.0 0.9586740467263706 0.6243719419981936 0.5366545633660618 1.0000 Se Se22 1.0 0.8308365181626767 0.5023335925152642 0.46614421467875716 1.0000 Br Br22 1.0 0.9500944473395002 0.6389632550544885 0.3695208069096046 1.0000 Br Br23 1.0 0.8427259490414106 0.49211317529010745 0.6324470761288806 1.0000 Al Al22 1.0 0.9132682234858231 0.7549747512097523 0.456728266920753 1.0000 Al Al23 1.0 0.7094915108100928 0.8710366427155871 0.5577512063025076 1.0000 Se Se23 1.0 0.8734798999328852 0.8740538300458313 0.5427902043813033 1.0000 Se Se24 1.0 0.7498283363922255 0.7490427635020064 0.47289205693054087 1.0000 Br Br24 1.0 0.8621400535378126 0.8787300006961524 0.37362225128388604 1.0000 Br Br25 1.0 0.7536485017279894 0.7433435518812008 0.6398749568940785 1.0000