# generated using pymatgen data_Ba3Sr5Ti7MnO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.41850544 _cell_length_b 11.45944412 _cell_length_c 17.94359774 _cell_angle_alpha 108.71691846 _cell_angle_beta 108.60823541 _cell_angle_gamma 89.96477694 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Sr5Ti7MnO20 _chemical_formula_sum 'Ba12 Sr20 Ti28 Mn4 O80' _cell_volume 2093.90231870 _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 0.30949600 0.06091500 0.12208400 1.0 Ba Ba1 1 0.31032700 0.56354000 0.12265000 1.0 Ba Ba2 1 0.80805700 0.06191400 0.12366000 1.0 Ba Ba3 1 0.80551400 0.56132400 0.12014700 1.0 Ba Ba4 1 0.18869700 0.93741300 0.37932800 1.0 Ba Ba5 1 0.19212800 0.93624200 0.88479700 1.0 Ba Ba6 1 0.68729100 0.43394700 0.88009200 1.0 Ba Ba7 1 0.05892800 0.31092700 0.12337500 1.0 Ba Ba8 1 0.05882400 0.81035600 0.12125500 1.0 Ba Ba9 1 0.55910700 0.30928500 0.12281600 1.0 Ba Ba10 1 0.55870700 0.80903600 0.12097200 1.0 Ba Ba11 1 0.93895100 0.69938900 0.88353100 1.0 Sr Sr12 1 0.30343800 0.06013100 0.60452500 1.0 Sr Sr13 1 0.30617100 0.56134900 0.60881500 1.0 Sr Sr14 1 0.80260300 0.05616800 0.60546100 1.0 Sr Sr15 1 0.80037700 0.56773500 0.60546500 1.0 Sr Sr16 1 0.19461500 0.44316700 0.38695200 1.0 Sr Sr17 1 0.19288700 0.43836100 0.88826100 1.0 Sr Sr18 1 0.69132500 0.43755100 0.38450000 1.0 Sr Sr19 1 0.69099900 0.94219400 0.38350600 1.0 Sr Sr20 1 0.69535600 0.94511900 0.89461800 1.0 Sr Sr21 1 0.05344500 0.29868600 0.60810700 1.0 Sr Sr22 1 0.05646000 0.79155500 0.60461500 1.0 Sr Sr23 1 0.55165400 0.29384700 0.60775900 1.0 Sr Sr24 1 0.55062600 0.79513500 0.60223400 1.0 Sr Sr25 1 0.44016200 0.19311700 0.38395100 1.0 Sr Sr26 1 0.44375100 0.19882600 0.89233800 1.0 Sr Sr27 1 0.43967600 0.69481100 0.38298700 1.0 Sr Sr28 1 0.44527400 0.69984100 0.88930100 1.0 Sr Sr29 1 0.94476700 0.19612000 0.38623200 1.0 Sr Sr30 1 0.94668600 0.20032700 0.89244200 1.0 Sr Sr31 1 0.94207000 0.69233500 0.38509100 1.0 Ti Ti32 1 0.99880000 0.00406800 0.00292000 1.0 Ti Ti33 1 0.99825200 0.99788000 0.49753900 1.0 Ti Ti34 1 0.00277100 0.50204800 0.00694300 1.0 Ti Ti35 1 0.00287100 0.49945900 0.50213200 1.0 Ti Ti36 1 0.49905200 0.99870000 0.99826300 1.0 Ti Ti37 1 0.50111600 0.99688300 0.49652100 1.0 Ti Ti38 1 0.49416800 0.49567100 0.99325100 1.0 Ti Ti39 1 0.50180100 0.49934100 0.50140800 1.0 Ti Ti40 1 0.25170800 0.25350400 0.00565900 1.0 Ti Ti41 1 0.25255100 0.25348400 0.50289000 1.0 Ti Ti42 1 0.24855600 0.74649600 0.99701100 1.0 Ti Ti43 1 0.25177300 0.74994200 0.50038500 1.0 Ti Ti44 1 0.74975200 0.24880100 0.00110500 1.0 Ti Ti45 1 0.74966100 0.24856900 0.49630400 1.0 Ti Ti46 1 0.74618000 0.74951200 0.99648700 1.0 Ti Ti47 1 0.74967800 0.75145200 0.49630400 1.0 Ti Ti48 1 0.12370700 0.11626800 0.25452600 1.0 Ti Ti49 1 0.10695100 0.08860500 0.74445400 1.0 Ti Ti50 1 0.12532700 0.60965300 0.25496600 1.0 Ti Ti51 1 0.61941500 0.11326500 0.25396600 1.0 Ti Ti52 1 0.60169700 0.08927500 0.74785700 1.0 Ti Ti53 1 0.62158800 0.61308600 0.25437700 1.0 Ti Ti54 1 0.37787600 0.38951700 0.25615100 1.0 Ti Ti55 1 0.37048300 0.89051000 0.25240600 1.0 Ti Ti56 1 0.87096200 0.39404700 0.25525200 1.0 Ti Ti57 1 0.85708900 0.40572200 0.74048000 1.0 Ti Ti58 1 0.87206200 0.89245100 0.25396600 1.0 Ti Ti59 1 0.84695600 0.90976800 0.74796100 1.0 Mn Mn60 1 0.11874100 0.58705900 0.74668000 1.0 Mn Mn61 1 0.60198500 0.60672200 0.74615300 1.0 Mn Mn62 1 0.35441400 0.40213000 0.74729200 1.0 Mn Mn63 1 0.36943400 0.90249500 0.74664500 1.0 O O64 1 0.12111700 0.12506400 0.49431400 1.0 O O65 1 0.12023700 0.12559600 0.99485600 1.0 O O66 1 0.12227200 0.62166700 0.49186400 1.0 O O67 1 0.12157400 0.61958900 0.99457100 1.0 O O68 1 0.62484200 0.12302100 0.49521100 1.0 O O69 1 0.62139600 0.12199800 0.99653800 1.0 O O70 1 0.62175200 0.62075200 0.48897000 1.0 O O71 1 0.61975300 0.62363900 0.99506700 1.0 O O72 1 0.12278500 0.37353700 0.99923300 1.0 O O73 1 0.13034600 0.37790600 0.50651400 1.0 O O74 1 0.12373900 0.87480000 0.00126300 1.0 O O75 1 0.12994600 0.87825300 0.51003000 1.0 O O76 1 0.62333000 0.37254300 0.00105200 1.0 O O77 1 0.63270500 0.37919800 0.51108000 1.0 O O78 1 0.62554700 0.87621000 0.00312300 1.0 O O79 1 0.62870100 0.87770700 0.50437800 1.0 O O80 1 0.37585500 0.12158700 0.49329300 1.0 O O81 1 0.37119200 0.12288200 0.99393300 1.0 O O82 1 0.37126100 0.61814600 0.48875500 1.0 O O83 1 0.37222100 0.62008500 0.99517500 1.0 O O84 1 0.87141200 0.12008900 0.49238300 1.0 O O85 1 0.87148800 0.12435500 0.99752600 1.0 O O86 1 0.87364800 0.62270100 0.49427500 1.0 O O87 1 0.87198100 0.62089800 0.99484300 1.0 O O88 1 0.37399100 0.37528400 0.00116800 1.0 O O89 1 0.38147200 0.37998100 0.50746800 1.0 O O90 1 0.37690800 0.87540900 0.00193800 1.0 O O91 1 0.37880300 0.87574800 0.50437600 1.0 O O92 1 0.87477000 0.37293700 0.99822900 1.0 O O93 1 0.88011100 0.38067100 0.50927500 1.0 O O94 1 0.87249800 0.87941000 0.00339000 1.0 O O95 1 0.88138600 0.88019800 0.50993600 1.0 O O96 1 0.06318900 0.07434300 0.13204700 1.0 O O97 1 0.07219400 0.09680200 0.63808200 1.0 O O98 1 0.06212500 0.56616900 0.12985700 1.0 O O99 1 0.07664800 0.58546000 0.62664300 1.0 O O100 1 0.56438100 0.07168400 0.13244000 1.0 O O101 1 0.57299400 0.07614400 0.63366300 1.0 O O102 1 0.56641600 0.57472800 0.13500400 1.0 O O103 1 0.56844700 0.58950300 0.62373400 1.0 O O104 1 0.43762400 0.41359000 0.37338900 1.0 O O105 1 0.43754300 0.42031800 0.87341100 1.0 O O106 1 0.44117300 0.92028900 0.37258400 1.0 O O107 1 0.44245100 0.92259000 0.86949000 1.0 O O108 1 0.93770500 0.41676700 0.37339500 1.0 O O109 1 0.93337500 0.39389100 0.84521500 1.0 O O110 1 0.93261400 0.91482400 0.37316500 1.0 O O111 1 0.92237400 0.93303800 0.86393200 1.0 O O112 1 0.31290600 0.31062900 0.13073200 1.0 O O113 1 0.32408400 0.29163100 0.62433900 1.0 O O114 1 0.31563200 0.80992200 0.13078800 1.0 O O115 1 0.32652000 0.79191800 0.62631600 1.0 O O116 1 0.81416500 0.31115900 0.13275300 1.0 O O117 1 0.83247800 0.28371000 0.63908300 1.0 O O118 1 0.81519400 0.80921300 0.13333300 1.0 O O119 1 0.81336700 0.80574300 0.63434800 1.0 O O120 1 0.18822100 0.20831400 0.37295400 1.0 O O121 1 0.18461200 0.19650200 0.85269800 1.0 O O122 1 0.18295700 0.69794100 0.37341100 1.0 O O123 1 0.19315300 0.69276300 0.87099700 1.0 O O124 1 0.68858300 0.20499700 0.37496300 1.0 O O125 1 0.68447300 0.17873000 0.86490800 1.0 O O126 1 0.69047500 0.71065700 0.37248700 1.0 O O127 1 0.68593400 0.70288600 0.87240900 1.0 O O128 1 0.49365500 0.01675900 0.26032400 1.0 O O129 1 0.43939100 0.07554300 0.74692200 1.0 O O130 1 0.49282800 0.51390500 0.26113800 1.0 O O131 1 0.42851000 0.56764700 0.74809500 1.0 O O132 1 0.99390400 0.01365800 0.25975600 1.0 O O133 1 0.94844000 0.04665300 0.74685600 1.0 O O134 1 0.98569000 0.51847300 0.25788800 1.0 O O135 1 0.93348000 0.54205000 0.73631800 1.0 O O136 1 0.24005000 0.49089800 0.25901800 1.0 O O137 1 0.17664600 0.41940700 0.74720100 1.0 O O138 1 0.24810100 0.00366600 0.25573900 1.0 O O139 1 0.18761000 0.94963000 0.73789800 1.0 O O140 1 0.74058400 0.49446600 0.26193300 1.0 O O141 1 0.70137400 0.44864400 0.73754500 1.0 O O142 1 0.74295700 0.99727100 0.26024500 1.0 O O143 1 0.67998400 0.93556700 0.74640200 1.0