# generated using pymatgen data_Sr4Ca4TiMn7O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.04307132 _cell_length_b 11.23330452 _cell_length_c 17.57557555 _cell_angle_alpha 108.66744887 _cell_angle_beta 108.35454522 _cell_angle_gamma 90.08077499 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4Ca4TiMn7O20 _chemical_formula_sum 'Sr16 Ca16 Ti4 Mn28 O80' _cell_volume 1947.76854926 _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 Sr Sr0 1 0.30967300 0.56121900 0.61049100 1.0 Sr Sr1 1 0.80673500 0.05811200 0.60791400 1.0 Sr Sr2 1 0.80697800 0.56075100 0.61033600 1.0 Sr Sr3 1 0.19750200 0.43913300 0.38885200 1.0 Sr Sr4 1 0.19944600 0.44061100 0.89108600 1.0 Sr Sr5 1 0.69723100 0.43937900 0.38848200 1.0 Sr Sr6 1 0.69845400 0.93823800 0.38792600 1.0 Sr Sr7 1 0.69807900 0.93896500 0.88981900 1.0 Sr Sr8 1 0.05879800 0.29725700 0.60879600 1.0 Sr Sr9 1 0.05990600 0.80138500 0.60996500 1.0 Sr Sr10 1 0.55840400 0.30057900 0.61020800 1.0 Sr Sr11 1 0.55716900 0.79951700 0.60915700 1.0 Sr Sr12 1 0.44667800 0.19962800 0.38883500 1.0 Sr Sr13 1 0.44675100 0.20243700 0.88837100 1.0 Sr Sr14 1 0.94869200 0.19750900 0.38814400 1.0 Sr Sr15 1 0.94694300 0.20142900 0.88928300 1.0 Ca Ca16 1 0.30565700 0.06581500 0.10910700 1.0 Ca Ca17 1 0.30569000 0.06004400 0.60382200 1.0 Ca Ca18 1 0.31052800 0.56635200 0.10999900 1.0 Ca Ca19 1 0.80582400 0.06781600 0.10987200 1.0 Ca Ca20 1 0.80358500 0.56262200 0.11098600 1.0 Ca Ca21 1 0.19881600 0.93489200 0.39352800 1.0 Ca Ca22 1 0.19599700 0.93565500 0.89133500 1.0 Ca Ca23 1 0.69547700 0.43482500 0.89239800 1.0 Ca Ca24 1 0.05592000 0.29257800 0.10884600 1.0 Ca Ca25 1 0.05933700 0.79512400 0.10957000 1.0 Ca Ca26 1 0.55597900 0.29538800 0.10775300 1.0 Ca Ca27 1 0.55122700 0.79316800 0.10901800 1.0 Ca Ca28 1 0.44776600 0.70624900 0.39366000 1.0 Ca Ca29 1 0.44237000 0.70132800 0.89185400 1.0 Ca Ca30 1 0.95147100 0.70676700 0.39310000 1.0 Ca Ca31 1 0.95033300 0.70587800 0.89386100 1.0 Ti Ti32 1 0.00822400 0.00016700 0.00295400 1.0 Ti Ti33 1 0.00652500 0.50442500 0.00512300 1.0 Ti Ti34 1 0.50268400 0.99883200 0.99945500 1.0 Ti Ti35 1 0.75407700 0.74856800 0.00207700 1.0 Mn Mn36 1 0.00609200 0.99665100 0.49774700 1.0 Mn Mn37 1 0.00367000 0.50025700 0.49859600 1.0 Mn Mn38 1 0.50307800 0.99872300 0.49859200 1.0 Mn Mn39 1 0.50601000 0.50058300 0.00229500 1.0 Mn Mn40 1 0.50447700 0.50131000 0.49947400 1.0 Mn Mn41 1 0.25593300 0.25153200 0.00287500 1.0 Mn Mn42 1 0.25410400 0.24806100 0.49789500 1.0 Mn Mn43 1 0.25558600 0.75215000 0.00198500 1.0 Mn Mn44 1 0.25514200 0.75023400 0.49869900 1.0 Mn Mn45 1 0.75640700 0.25206900 0.00316700 1.0 Mn Mn46 1 0.75441100 0.24965400 0.49954200 1.0 Mn Mn47 1 0.75491000 0.74816600 0.49872500 1.0 Mn Mn48 1 0.10816400 0.09116200 0.24685900 1.0 Mn Mn49 1 0.11212000 0.09502800 0.74965100 1.0 Mn Mn50 1 0.10963400 0.59903500 0.24887500 1.0 Mn Mn51 1 0.11109400 0.59968100 0.75069200 1.0 Mn Mn52 1 0.60713800 0.09290000 0.24434000 1.0 Mn Mn53 1 0.60659500 0.09830100 0.74728100 1.0 Mn Mn54 1 0.60898200 0.59559600 0.24886800 1.0 Mn Mn55 1 0.61449800 0.59869000 0.75480600 1.0 Mn Mn56 1 0.35758500 0.40531700 0.24884400 1.0 Mn Mn57 1 0.36417500 0.40302300 0.75080500 1.0 Mn Mn58 1 0.35638700 0.90166200 0.25010200 1.0 Mn Mn59 1 0.36120100 0.90404700 0.75031600 1.0 Mn Mn60 1 0.86016500 0.40533300 0.24947200 1.0 Mn Mn61 1 0.86129600 0.40768200 0.75570100 1.0 Mn Mn62 1 0.86085900 0.89952100 0.24595100 1.0 Mn Mn63 1 0.86629600 0.90210100 0.75166400 1.0 O O64 1 0.12784900 0.11635100 0.49148500 1.0 O O65 1 0.12702500 0.11851400 0.99090400 1.0 O O66 1 0.12078600 0.62344900 0.48847200 1.0 O O67 1 0.12182000 0.62538000 0.99029000 1.0 O O68 1 0.62330700 0.12104600 0.49210100 1.0 O O69 1 0.62520400 0.12032600 0.99439600 1.0 O O70 1 0.62110000 0.62247800 0.48831600 1.0 O O71 1 0.62785900 0.62341500 0.98829900 1.0 O O72 1 0.13410900 0.38423600 0.01525600 1.0 O O73 1 0.13221700 0.37710800 0.50665400 1.0 O O74 1 0.13744500 0.88142500 0.01359900 1.0 O O75 1 0.13661300 0.88056800 0.50791800 1.0 O O76 1 0.64045600 0.37827000 0.01378400 1.0 O O77 1 0.63054400 0.37830000 0.50520500 1.0 O O78 1 0.63907800 0.87979400 0.01595800 1.0 O O79 1 0.62838300 0.87432800 0.50318700 1.0 O O80 1 0.37146900 0.11465800 0.49062800 1.0 O O81 1 0.37442400 0.11345500 0.99132500 1.0 O O82 1 0.37521500 0.62129000 0.48777800 1.0 O O83 1 0.37478100 0.62818800 0.99305900 1.0 O O84 1 0.87720300 0.11808600 0.49261000 1.0 O O85 1 0.87794400 0.11990300 0.99390300 1.0 O O86 1 0.87526400 0.62114200 0.48921100 1.0 O O87 1 0.87578900 0.61781800 0.98735800 1.0 O O88 1 0.38354500 0.37985300 0.01466600 1.0 O O89 1 0.38195300 0.37941400 0.50680500 1.0 O O90 1 0.38793900 0.88299800 0.01423500 1.0 O O91 1 0.38111600 0.88243200 0.50754900 1.0 O O92 1 0.88593800 0.38777400 0.01390600 1.0 O O93 1 0.88188900 0.37988800 0.50605300 1.0 O O94 1 0.89084400 0.88377000 0.01512000 1.0 O O95 1 0.88416500 0.87651600 0.50444200 1.0 O O96 1 0.08176200 0.09157800 0.12835200 1.0 O O97 1 0.08044900 0.08096400 0.63361300 1.0 O O98 1 0.07462700 0.59699400 0.12732500 1.0 O O99 1 0.07303400 0.58507700 0.63410500 1.0 O O100 1 0.57744500 0.09179200 0.13003400 1.0 O O101 1 0.57349800 0.08333500 0.63150800 1.0 O O102 1 0.58113300 0.59819700 0.13730200 1.0 O O103 1 0.57530900 0.58521000 0.63325100 1.0 O O104 1 0.43775200 0.41485400 0.36342300 1.0 O O105 1 0.44485000 0.41179700 0.86491700 1.0 O O106 1 0.43955900 0.91054100 0.36538200 1.0 O O107 1 0.45093200 0.90748000 0.87542400 1.0 O O108 1 0.93817800 0.41491800 0.36451100 1.0 O O109 1 0.94607900 0.41553500 0.87244800 1.0 O O110 1 0.94785700 0.90626000 0.36729700 1.0 O O111 1 0.95030300 0.90849400 0.87449000 1.0 O O112 1 0.33480200 0.28900700 0.14022600 1.0 O O113 1 0.32658000 0.29398000 0.63573300 1.0 O O114 1 0.32944000 0.78907800 0.13999900 1.0 O O115 1 0.32164600 0.79282200 0.62844400 1.0 O O116 1 0.83834500 0.29137600 0.14053600 1.0 O O117 1 0.82586800 0.30546900 0.64020800 1.0 O O118 1 0.83215400 0.77847000 0.12582000 1.0 O O119 1 0.82367700 0.79698800 0.63041400 1.0 O O120 1 0.18826400 0.19942200 0.36516900 1.0 O O121 1 0.18942200 0.20473300 0.86210700 1.0 O O122 1 0.19834300 0.71084900 0.36940700 1.0 O O123 1 0.19551400 0.71176000 0.86188500 1.0 O O124 1 0.68612800 0.19335700 0.35924900 1.0 O O125 1 0.68773000 0.20809600 0.86088400 1.0 O O126 1 0.69350100 0.69695900 0.36387600 1.0 O O127 1 0.70606600 0.71326700 0.87544100 1.0 O O128 1 0.42458700 0.06224500 0.24164200 1.0 O O129 1 0.42728400 0.07126000 0.74366100 1.0 O O130 1 0.42972100 0.57233100 0.24865000 1.0 O O131 1 0.43296400 0.57109400 0.75840300 1.0 O O132 1 0.92449100 0.06734000 0.24057300 1.0 O O133 1 0.93729800 0.06964300 0.75024100 1.0 O O134 1 0.92411200 0.56843300 0.24855000 1.0 O O135 1 0.93838400 0.57450200 0.75911700 1.0 O O136 1 0.17950400 0.42454500 0.24092700 1.0 O O137 1 0.18570500 0.43837900 0.75121800 1.0 O O138 1 0.17884000 0.92165900 0.24844000 1.0 O O139 1 0.18334400 0.93641800 0.75957300 1.0 O O140 1 0.67464400 0.42637000 0.24075200 1.0 O O141 1 0.68627800 0.43070800 0.75875500 1.0 O O142 1 0.67383300 0.92928400 0.24048000 1.0 O O143 1 0.68655600 0.94384200 0.75196500 1.0