# generated using pymatgen data_BaSr7Ti7MnO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.33235952 _cell_length_b 11.39236440 _cell_length_c 17.85599978 _cell_angle_alpha 108.61337317 _cell_angle_beta 108.49517588 _cell_angle_gamma 89.97057839 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr7Ti7MnO20 _chemical_formula_sum 'Ba4 Sr28 Ti28 Mn4 O80' _cell_volume 2058.77957779 _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 0.31105200 0.06092600 0.12413400 1.0 Ba Ba1 1 0.31093900 0.56404700 0.12274100 1.0 Ba Ba2 1 0.81138700 0.06367200 0.12425100 1.0 Ba Ba3 1 0.06095400 0.80964700 0.12293000 1.0 Sr Sr4 1 0.30254000 0.05863800 0.60489500 1.0 Sr Sr5 1 0.30440900 0.56140200 0.60894800 1.0 Sr Sr6 1 0.80172100 0.05904900 0.60572800 1.0 Sr Sr7 1 0.80760000 0.55856000 0.11429400 1.0 Sr Sr8 1 0.80218100 0.56635400 0.60673400 1.0 Sr Sr9 1 0.19444900 0.44095200 0.38543200 1.0 Sr Sr10 1 0.19622800 0.43895900 0.88981800 1.0 Sr Sr11 1 0.19134600 0.93677400 0.38038500 1.0 Sr Sr12 1 0.20063500 0.93832500 0.89447300 1.0 Sr Sr13 1 0.69072700 0.43967600 0.38269700 1.0 Sr Sr14 1 0.68992400 0.43574500 0.88838000 1.0 Sr Sr15 1 0.68889800 0.93833000 0.37879500 1.0 Sr Sr16 1 0.69613100 0.94297600 0.89567600 1.0 Sr Sr17 1 0.05874700 0.30874400 0.11677500 1.0 Sr Sr18 1 0.05653500 0.29806300 0.60961800 1.0 Sr Sr19 1 0.05722500 0.79323700 0.60567700 1.0 Sr Sr20 1 0.55934700 0.30753700 0.11634300 1.0 Sr Sr21 1 0.55082000 0.29492000 0.60895400 1.0 Sr Sr22 1 0.55962500 0.80301100 0.11615600 1.0 Sr Sr23 1 0.55132300 0.79520400 0.60342700 1.0 Sr Sr24 1 0.43950800 0.19041200 0.38340100 1.0 Sr Sr25 1 0.44727000 0.20245000 0.89250700 1.0 Sr Sr26 1 0.44121200 0.69364900 0.38123500 1.0 Sr Sr27 1 0.44486400 0.70166000 0.88941100 1.0 Sr Sr28 1 0.94440700 0.19699700 0.38357500 1.0 Sr Sr29 1 0.94507200 0.20112300 0.89154700 1.0 Sr Sr30 1 0.94328300 0.69360300 0.38429200 1.0 Sr Sr31 1 0.94559600 0.70879800 0.89268500 1.0 Ti Ti32 1 0.00172700 0.00456600 0.00225300 1.0 Ti Ti33 1 0.99763400 0.99597900 0.49428200 1.0 Ti Ti34 1 0.00113400 0.50064400 0.00258500 1.0 Ti Ti35 1 0.00151100 0.50009800 0.50181700 1.0 Ti Ti36 1 0.50035200 0.00042600 0.99955300 1.0 Ti Ti37 1 0.49970100 0.99626100 0.49620100 1.0 Ti Ti38 1 0.49999500 0.49869900 0.99642900 1.0 Ti Ti39 1 0.50230400 0.49849700 0.50087700 1.0 Ti Ti40 1 0.25299400 0.25144900 0.00371500 1.0 Ti Ti41 1 0.25147700 0.25111000 0.50129000 1.0 Ti Ti42 1 0.25022800 0.74851300 0.99777200 1.0 Ti Ti43 1 0.25099100 0.74970600 0.49852000 1.0 Ti Ti44 1 0.75275200 0.25188800 0.00290900 1.0 Ti Ti45 1 0.74948900 0.24884400 0.49520900 1.0 Ti Ti46 1 0.74851700 0.74736200 0.99644400 1.0 Ti Ti47 1 0.74989700 0.75036500 0.49489600 1.0 Ti Ti48 1 0.12218500 0.11542800 0.25396100 1.0 Ti Ti49 1 0.10908900 0.08449300 0.74920500 1.0 Ti Ti50 1 0.11958400 0.61069300 0.25200000 1.0 Ti Ti51 1 0.62527700 0.11112200 0.25143000 1.0 Ti Ti52 1 0.60081700 0.08958900 0.74897900 1.0 Ti Ti53 1 0.62032000 0.61380000 0.25002900 1.0 Ti Ti54 1 0.37313800 0.38910600 0.25276900 1.0 Ti Ti55 1 0.37497900 0.88733000 0.25233900 1.0 Ti Ti56 1 0.86761500 0.39512000 0.25243000 1.0 Ti Ti57 1 0.85270900 0.41268400 0.74873400 1.0 Ti Ti58 1 0.87184700 0.88197000 0.25056300 1.0 Ti Ti59 1 0.84958600 0.90972400 0.74915800 1.0 Mn Mn60 1 0.11054900 0.59274200 0.74962100 1.0 Mn Mn61 1 0.60482500 0.60387400 0.74855900 1.0 Mn Mn62 1 0.35557100 0.40498700 0.74886500 1.0 Mn Mn63 1 0.36461700 0.90180000 0.74912700 1.0 O O64 1 0.12084400 0.12028900 0.49077700 1.0 O O65 1 0.12145500 0.12319800 0.99215400 1.0 O O66 1 0.12199700 0.62157000 0.49215400 1.0 O O67 1 0.12069400 0.62093000 0.99137300 1.0 O O68 1 0.62339500 0.12376600 0.49537700 1.0 O O69 1 0.62295400 0.12582200 0.99774900 1.0 O O70 1 0.62108300 0.62012000 0.48854000 1.0 O O71 1 0.62370900 0.62195700 0.99408200 1.0 O O72 1 0.12316600 0.37245700 0.00062900 1.0 O O73 1 0.12805400 0.37743100 0.50533600 1.0 O O74 1 0.12587300 0.87692000 0.00126600 1.0 O O75 1 0.12823600 0.87703600 0.50555500 1.0 O O76 1 0.62915200 0.37772100 0.00568300 1.0 O O77 1 0.63107200 0.37781300 0.50802600 1.0 O O78 1 0.62742300 0.87647200 0.00706800 1.0 O O79 1 0.62883700 0.87734500 0.50416100 1.0 O O80 1 0.37154700 0.11928800 0.49094200 1.0 O O81 1 0.37222300 0.12213200 0.99303900 1.0 O O82 1 0.37178100 0.61902600 0.48994100 1.0 O O83 1 0.37520800 0.62262300 0.99489500 1.0 O O84 1 0.87321900 0.12155700 0.49532500 1.0 O O85 1 0.87407600 0.12596800 0.99529800 1.0 O O86 1 0.87327100 0.62304200 0.49495000 1.0 O O87 1 0.86971200 0.61733200 0.98954500 1.0 O O88 1 0.37980000 0.37626800 0.00424100 1.0 O O89 1 0.38078700 0.37880000 0.50696900 1.0 O O90 1 0.38046400 0.87870800 0.00558400 1.0 O O91 1 0.37675800 0.87550500 0.50288400 1.0 O O92 1 0.87384200 0.37504200 0.99872500 1.0 O O93 1 0.87969700 0.37998400 0.50789000 1.0 O O94 1 0.87687400 0.87862200 0.00414300 1.0 O O95 1 0.88213200 0.88090800 0.51084800 1.0 O O96 1 0.06562600 0.08276800 0.13180700 1.0 O O97 1 0.08412700 0.09244600 0.64311500 1.0 O O98 1 0.05676300 0.56531800 0.12690900 1.0 O O99 1 0.06922400 0.58435900 0.62736800 1.0 O O100 1 0.56398000 0.08301700 0.13225400 1.0 O O101 1 0.56941600 0.07561800 0.63365900 1.0 O O102 1 0.57199700 0.57764400 0.13108100 1.0 O O103 1 0.57268000 0.58574400 0.62519500 1.0 O O104 1 0.43498900 0.41178000 0.37072900 1.0 O O105 1 0.44599700 0.41912200 0.87352700 1.0 O O106 1 0.43840800 0.91927300 0.37278300 1.0 O O107 1 0.44421200 0.92170500 0.87207200 1.0 O O108 1 0.93525100 0.42371600 0.37158200 1.0 O O109 1 0.93602100 0.39942100 0.85266900 1.0 O O110 1 0.93078100 0.91598300 0.37236000 1.0 O O111 1 0.92864300 0.92270000 0.86333100 1.0 O O112 1 0.31385100 0.30680500 0.12973200 1.0 O O113 1 0.32043100 0.29198100 0.62473800 1.0 O O114 1 0.31796000 0.80884300 0.12989000 1.0 O O115 1 0.32026700 0.79602600 0.62679700 1.0 O O116 1 0.81871100 0.31233500 0.12960800 1.0 O O117 1 0.83191000 0.29571300 0.64425700 1.0 O O118 1 0.81399600 0.79594400 0.13022000 1.0 O O119 1 0.81385100 0.80477300 0.63585600 1.0 O O120 1 0.18705100 0.20841200 0.37211800 1.0 O O121 1 0.18801800 0.19774100 0.85590300 1.0 O O122 1 0.18311900 0.69902000 0.37130600 1.0 O O123 1 0.19293800 0.70588200 0.87139500 1.0 O O124 1 0.69096100 0.20315600 0.37276500 1.0 O O125 1 0.68196200 0.18928800 0.86452600 1.0 O O126 1 0.69465600 0.70418400 0.37131500 1.0 O O127 1 0.69168000 0.70735500 0.87254000 1.0 O O128 1 0.49797500 0.01261400 0.25986500 1.0 O O129 1 0.43586400 0.07545200 0.74830300 1.0 O O130 1 0.49011400 0.51434800 0.25811000 1.0 O O131 1 0.42654700 0.57252600 0.74860300 1.0 O O132 1 0.99682400 0.00594500 0.25822100 1.0 O O133 1 0.94545400 0.05305700 0.74823800 1.0 O O134 1 0.97335300 0.52603500 0.25206600 1.0 O O135 1 0.92106500 0.55983500 0.74937400 1.0 O O136 1 0.23128500 0.48670600 0.25273800 1.0 O O137 1 0.17453900 0.42516500 0.74949400 1.0 O O138 1 0.24752500 0.00114100 0.25741300 1.0 O O139 1 0.17928600 0.93912300 0.74970600 1.0 O O140 1 0.72202500 0.46849400 0.25169500 1.0 O O141 1 0.69205200 0.43749900 0.74849700 1.0 O O142 1 0.73957300 0.98948500 0.25140900 1.0 O O143 1 0.68033800 0.93653800 0.74927500 1.0