# generated using pymatgen data_Ba3Sr5Ti8O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.45975039 _cell_length_b 11.44724703 _cell_length_c 17.84485099 _cell_angle_alpha 108.73899171 _cell_angle_beta 108.68062460 _cell_angle_gamma 89.95950910 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Sr5Ti8O20 _chemical_formula_sum 'Ba12 Sr20 Ti32 O80' _cell_volume 2086.38957087 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '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 Ba Ba0 1 0.30590500 0.06021400 0.11911000 1.0 Ba Ba1 1 0.30697700 0.56076000 0.12063600 1.0 Ba Ba2 1 0.80610400 0.06136800 0.12088800 1.0 Ba Ba3 1 0.80569700 0.55993200 0.11919100 1.0 Ba Ba4 1 0.18786200 0.94018400 0.38123000 1.0 Ba Ba5 1 0.18477700 0.93634300 0.87809700 1.0 Ba Ba6 1 0.68506000 0.43608600 0.87812300 1.0 Ba Ba7 1 0.05636400 0.30938800 0.12013500 1.0 Ba Ba8 1 0.05618900 0.80897800 0.11919500 1.0 Ba Ba9 1 0.55662400 0.30940200 0.12028600 1.0 Ba Ba10 1 0.55674900 0.80953400 0.12032500 1.0 Ba Ba11 1 0.93431000 0.69073800 0.87762300 1.0 Sr Sr12 1 0.30374500 0.06112900 0.61226500 1.0 Sr Sr13 1 0.30703500 0.56174300 0.61289500 1.0 Sr Sr14 1 0.80536100 0.06016900 0.61212400 1.0 Sr Sr15 1 0.80447000 0.56095100 0.61340700 1.0 Sr Sr16 1 0.19242300 0.44217200 0.38744300 1.0 Sr Sr17 1 0.19251900 0.43925300 0.88562800 1.0 Sr Sr18 1 0.69328300 0.44306900 0.38794800 1.0 Sr Sr19 1 0.69206500 0.94089600 0.38656400 1.0 Sr Sr20 1 0.69198700 0.94090300 0.88654500 1.0 Sr Sr21 1 0.05345800 0.30278800 0.61282100 1.0 Sr Sr22 1 0.05554200 0.80087200 0.61262300 1.0 Sr Sr23 1 0.55668200 0.30097300 0.61222100 1.0 Sr Sr24 1 0.55523300 0.79978700 0.61135500 1.0 Sr Sr25 1 0.44150400 0.19458600 0.38667200 1.0 Sr Sr26 1 0.44120600 0.19551900 0.88620700 1.0 Sr Sr27 1 0.44365400 0.69594200 0.38735200 1.0 Sr Sr28 1 0.44341100 0.69831000 0.88638600 1.0 Sr Sr29 1 0.94267700 0.19645500 0.38749200 1.0 Sr Sr30 1 0.94279000 0.19659700 0.88684900 1.0 Sr Sr31 1 0.94166800 0.69431000 0.38768300 1.0 Ti Ti32 1 0.99485000 0.00007700 0.99837700 1.0 Ti Ti33 1 0.99838200 0.00009300 0.50126700 1.0 Ti Ti34 1 0.99707500 0.49806700 0.99770800 1.0 Ti Ti35 1 0.00105900 0.49981700 0.50141400 1.0 Ti Ti36 1 0.49653500 0.99894700 0.99730300 1.0 Ti Ti37 1 0.50041300 0.99942400 0.50060700 1.0 Ti Ti38 1 0.49508200 0.49833700 0.99758600 1.0 Ti Ti39 1 0.49911200 0.49869000 0.50032000 1.0 Ti Ti40 1 0.24668100 0.24985900 0.99808000 1.0 Ti Ti41 1 0.25041900 0.25250600 0.50169800 1.0 Ti Ti42 1 0.24666600 0.74711300 0.99723400 1.0 Ti Ti43 1 0.25023000 0.75037900 0.50068100 1.0 Ti Ti44 1 0.74625700 0.24752700 0.99748300 1.0 Ti Ti45 1 0.74928000 0.25071300 0.50002600 1.0 Ti Ti46 1 0.74545300 0.75006400 0.99836700 1.0 Ti Ti47 1 0.75025600 0.75135800 0.50108000 1.0 Ti Ti48 1 0.12098400 0.11457400 0.25331200 1.0 Ti Ti49 1 0.11210000 0.10831300 0.74702300 1.0 Ti Ti50 1 0.12015200 0.60940100 0.25387000 1.0 Ti Ti51 1 0.11702600 0.60198900 0.74643200 1.0 Ti Ti52 1 0.62190900 0.11438100 0.25431400 1.0 Ti Ti53 1 0.61208000 0.10213600 0.74734800 1.0 Ti Ti54 1 0.62097600 0.61237900 0.25468800 1.0 Ti Ti55 1 0.61277500 0.61072100 0.74699500 1.0 Ti Ti56 1 0.37167800 0.39139000 0.25453700 1.0 Ti Ti57 1 0.36402600 0.39213000 0.74793100 1.0 Ti Ti58 1 0.37326600 0.89301000 0.25308700 1.0 Ti Ti59 1 0.36507700 0.89253400 0.74677300 1.0 Ti Ti60 1 0.87013300 0.39152300 0.25459300 1.0 Ti Ti61 1 0.86471300 0.38840200 0.74558200 1.0 Ti Ti62 1 0.87007500 0.89205900 0.25415400 1.0 Ti Ti63 1 0.86140400 0.89344200 0.74763300 1.0 O O64 1 0.11905200 0.12550600 0.49522700 1.0 O O65 1 0.11739100 0.12436900 0.99379200 1.0 O O66 1 0.12114800 0.62170500 0.49355300 1.0 O O67 1 0.12139000 0.61974100 0.99409600 1.0 O O68 1 0.61979800 0.12097700 0.49139300 1.0 O O69 1 0.61904500 0.12104400 0.99276800 1.0 O O70 1 0.62089800 0.62144200 0.49259300 1.0 O O71 1 0.61653100 0.62344700 0.99343700 1.0 O O72 1 0.12176700 0.37388500 0.99859000 1.0 O O73 1 0.12999200 0.38005000 0.50919200 1.0 O O74 1 0.12142100 0.87443700 0.00019300 1.0 O O75 1 0.12844700 0.87919900 0.51079400 1.0 O O76 1 0.61994500 0.37238700 0.99929600 1.0 O O77 1 0.62942300 0.37996300 0.50987300 1.0 O O78 1 0.62122300 0.87510600 0.99941100 1.0 O O79 1 0.62895700 0.87907100 0.50808900 1.0 O O80 1 0.37393500 0.12442600 0.49550000 1.0 O O81 1 0.37036000 0.12317600 0.99282000 1.0 O O82 1 0.37024500 0.61954300 0.49125200 1.0 O O83 1 0.36892400 0.62021400 0.99248500 1.0 O O84 1 0.86804600 0.11999300 0.49062700 1.0 O O85 1 0.86818600 0.12217100 0.99370800 1.0 O O86 1 0.87167500 0.62148400 0.49412800 1.0 O O87 1 0.86936300 0.62224500 0.99500600 1.0 O O88 1 0.37090000 0.37506300 0.99942600 1.0 O O89 1 0.37912700 0.37945600 0.50900400 1.0 O O90 1 0.37285500 0.87284600 0.99850400 1.0 O O91 1 0.38021000 0.87833200 0.50891200 1.0 O O92 1 0.87245000 0.37235300 0.99880300 1.0 O O93 1 0.87964000 0.37998100 0.51009900 1.0 O O94 1 0.86976300 0.87728000 0.00054600 1.0 O O95 1 0.87864900 0.87917500 0.50986700 1.0 O O96 1 0.06092400 0.07424100 0.13127200 1.0 O O97 1 0.05851200 0.08739500 0.62901300 1.0 O O98 1 0.06299100 0.57122100 0.13187900 1.0 O O99 1 0.06940900 0.58498300 0.62976100 1.0 O O100 1 0.56251900 0.07347300 0.13180400 1.0 O O101 1 0.56656200 0.08368200 0.63019100 1.0 O O102 1 0.56276500 0.57258200 0.13243100 1.0 O O103 1 0.55952600 0.58531600 0.62831600 1.0 O O104 1 0.43617500 0.41109700 0.37221200 1.0 O O105 1 0.42684800 0.41864600 0.86653200 1.0 O O106 1 0.43674900 0.91409100 0.37162900 1.0 O O107 1 0.43390200 0.92313200 0.86567700 1.0 O O108 1 0.93574500 0.41333800 0.37294300 1.0 O O109 1 0.93317600 0.41941900 0.86483800 1.0 O O110 1 0.93159500 0.91158200 0.37229700 1.0 O O111 1 0.92515000 0.92917600 0.86753300 1.0 O O112 1 0.31326300 0.30922300 0.13191300 1.0 O O113 1 0.31610800 0.29542200 0.63073500 1.0 O O114 1 0.31469500 0.80808700 0.13157800 1.0 O O115 1 0.31891400 0.79411500 0.62961300 1.0 O O116 1 0.81225200 0.30893800 0.13235500 1.0 O O117 1 0.81161300 0.28959800 0.62798300 1.0 O O118 1 0.81186600 0.80911000 0.13231000 1.0 O O119 1 0.81277300 0.79609000 0.63003200 1.0 O O120 1 0.18639900 0.20867900 0.37251300 1.0 O O121 1 0.18154900 0.19682300 0.86581200 1.0 O O122 1 0.18481200 0.70128900 0.37296100 1.0 O O123 1 0.18308800 0.68660400 0.86589800 1.0 O O124 1 0.68559500 0.21209000 0.37225000 1.0 O O125 1 0.68084300 0.18766100 0.86660800 1.0 O O126 1 0.68709200 0.70907000 0.37273100 1.0 O O127 1 0.67683800 0.69750800 0.86668700 1.0 O O128 1 0.49316800 0.01632100 0.26022900 1.0 O O129 1 0.46185800 0.03146900 0.74537100 1.0 O O130 1 0.48925900 0.51715900 0.26103500 1.0 O O131 1 0.46872400 0.52115100 0.74695800 1.0 O O132 1 0.99080100 0.01519900 0.25939600 1.0 O O133 1 0.96588800 0.02415900 0.74637400 1.0 O O134 1 0.98719500 0.51582900 0.25957400 1.0 O O135 1 0.97223300 0.50898400 0.73761800 1.0 O O136 1 0.23842900 0.49051700 0.25959100 1.0 O O137 1 0.21530600 0.46572700 0.74510100 1.0 O O138 1 0.24447100 0.00030300 0.25507300 1.0 O O139 1 0.21992600 0.97924800 0.73914500 1.0 O O140 1 0.73865500 0.49285300 0.26086800 1.0 O O141 1 0.72474100 0.48247900 0.74076000 1.0 O O142 1 0.74138600 0.99694300 0.26021200 1.0 O O143 1 0.70950000 0.96719900 0.74458100 1.0