data_image0 _chemical_formula_structural BrAgSe4Ag2Br2Se4Ag2Br2Se4Ag2Br2Se4Ag2Br2Se4Ag2Br2Se4Ag2 _chemical_formula_sum "Br11 Ag13 Se24" _cell_length_a 15.835022201402165 _cell_length_b 16.489663300143434 _cell_length_c 18.169744886120114 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _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 0.012554431403474547 0.011188560775428034 0.4080509410819356 1.0000 Ag Ag1 1.0 0.2270579399428709 0.4516723613110532 0.5930338520179907 1.0000 Se Se1 1.0 0.19631037837918158 0.2928534950715455 0.4366456039820675 1.0000 Se Se2 1.0 0.030066459897848574 0.18613334390965414 0.5508895228158258 1.0000 Se Se3 1.0 0.2868690723779195 0.3009001154048331 0.5498361277285551 1.0000 Se Se4 1.0 0.1302428113941879 0.16753459786992556 0.44321232744174277 1.0000 Ag Ag2 1.0 0.25343176908489884 0.068390729966584 0.5023470349863041 1.0000 Ag Ag3 1.0 0.1056343331082847 0.4179257814160496 0.4883716351338836 1.0000 Br Br2 1.0 0.004872819186396057 0.5045103413316896 0.4060405507198836 1.0000 Br Br3 1.0 0.1827228931667549 0.9729147859471728 0.6035269030319124 1.0000 Se Se5 1.0 0.18869906982103332 0.7998554912813335 0.4414137413743642 1.0000 Se Se6 1.0 0.02155550056442457 0.6824733625641773 0.5515214992179144 1.0000 Se Se7 1.0 0.2871924492532324 0.7941527065556331 0.5502274073004235 1.0000 Se Se8 1.0 0.1199908718682916 0.6757387453692324 0.4413403176687281 1.0000 Ag Ag4 1.0 0.22974949284743368 0.5608882905401439 0.4783364964380571 1.0000 Ag Ag5 1.0 0.08111693331798807 0.9084411523350934 0.5027261586362604 1.0000 Br Br4 1.0 0.3057879287072446 0.9759804058584656 0.3909425176038788 1.0000 Br Br5 1.0 0.4983879188562917 0.48261893315497695 0.6015999310122476 1.0000 Se Se9 1.0 0.5208609287121597 0.31375919664502766 0.45651405740629647 1.0000 Se Se10 1.0 0.36296588832638715 0.1734152758580053 0.5557107148880885 1.0000 Se Se11 1.0 0.6296503878041374 0.31546396038024327 0.5600798642898858 1.0000 Se Se12 1.0 0.46560735856417945 0.18566750783646196 0.4529149683486424 1.0000 Ag Ag6 1.0 0.5854018612729934 0.08316526632706148 0.500843794837849 1.0000 Ag Ag7 1.0 0.3863805185860889 0.4206664256109864 0.5068952578985105 1.0000 Br Br6 1.0 0.3470040723727841 0.5034131376065024 0.3860810481361662 1.0000 Br Br7 1.0 0.5021593546800263 0.980283396681568 0.5860450609922563 1.0000 Se Se13 1.0 0.515371225010178 0.8007254308149002 0.4475617093673178 1.0000 Se Se14 1.0 0.3461989310955669 0.6672570136652998 0.5455016485989025 1.0000 Se Se15 1.0 0.6224212650063264 0.8116794804344839 0.5531170736292066 1.0000 Se Se16 1.0 0.4605934565316979 0.6725167408302108 0.44410181874177457 1.0000 Ag Ag8 1.0 0.5764550136969 0.5764622598399153 0.5055272084208876 1.0000 Ag Ag9 1.0 0.39615028575359573 0.9057081638452916 0.49385849863278486 1.0000 Br Br8 1.0 0.6878648271825916 0.017906002361942203 0.40098514732397966 1.0000 Br Br9 1.0 0.8479113776557312 0.48252094388918115 0.6120230531412034 1.0000 Se Se17 1.0 0.8626456557029916 0.3148719501116094 0.4517522360080173 1.0000 Se Se18 1.0 0.6946468328302053 0.19068789718542334 0.5582220192727119 1.0000 Se Se19 1.0 0.9794137231223269 0.3157755968222048 0.5503927469911473 1.0000 Se Se20 1.0 0.7997970706273183 0.18931202737007047 0.45176398961277836 1.0000 Ag Ag10 1.0 0.9077990107729129 0.08192203475666175 0.5053256370712096 1.0000 Ag Ag11 1.0 0.7474776832931699 0.4174664378950734 0.510502277172076 1.0000 Br Br10 1.0 0.6810070786667489 0.510003079925037 0.40686182146933697 1.0000 Br Br11 1.0 0.8437380087043351 0.9788905707892529 0.6006200377825083 1.0000 Se Se21 1.0 0.8543413793762835 0.8060236978813502 0.4494093797782351 1.0000 Se Se22 1.0 0.6870294687074497 0.686638063125371 0.5561371308916462 1.0000 Se Se23 1.0 0.9613719214521844 0.8095721833134021 0.553672839825336 1.0000 Se Se24 1.0 0.7909067218668641 0.6803717350555248 0.44928218426643873 1.0000 Ag Ag12 1.0 0.9020916408146948 0.5771416224076097 0.5059783523445572 1.0000 Ag Ag13 1.0 0.7381156181116715 0.9128907847299138 0.5013888773396714 1.0000