# generated using pymatgen data_Sr7CaFe5Co3O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.91986077 _cell_length_b 11.35698658 _cell_length_c 17.74962079 _cell_angle_alpha 108.65558747 _cell_angle_beta 108.00882120 _cell_angle_gamma 89.83184066 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr7CaFe5Co3O20 _chemical_formula_sum 'Sr28 Ca4 Fe20 Co12 O80' _cell_volume 1972.13723728 _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 0.30979300 0.06314100 0.60855200 1.0 Sr Sr1 1 0.30841800 0.56396900 0.60876600 1.0 Sr Sr2 1 0.80489700 0.06313900 0.60894400 1.0 Sr Sr3 1 0.80972900 0.56722400 0.10903200 1.0 Sr Sr4 1 0.80625800 0.56444400 0.60955400 1.0 Sr Sr5 1 0.19939100 0.43594400 0.38973100 1.0 Sr Sr6 1 0.19644200 0.43675700 0.89196900 1.0 Sr Sr7 1 0.20073300 0.93611400 0.38814600 1.0 Sr Sr8 1 0.19950300 0.93616200 0.89334600 1.0 Sr Sr9 1 0.69517600 0.43597900 0.39054200 1.0 Sr Sr10 1 0.70073200 0.44003900 0.89262100 1.0 Sr Sr11 1 0.69426300 0.93476800 0.38971100 1.0 Sr Sr12 1 0.69995300 0.93690200 0.89377600 1.0 Sr Sr13 1 0.05196700 0.29343500 0.10962300 1.0 Sr Sr14 1 0.05263600 0.29639400 0.60808300 1.0 Sr Sr15 1 0.05527600 0.79524900 0.60920100 1.0 Sr Sr16 1 0.55971600 0.29172800 0.10984200 1.0 Sr Sr17 1 0.55642200 0.29561100 0.60851800 1.0 Sr Sr18 1 0.55884900 0.79814200 0.11004700 1.0 Sr Sr19 1 0.56094500 0.79746800 0.60877100 1.0 Sr Sr20 1 0.44558500 0.20186100 0.38713400 1.0 Sr Sr21 1 0.44928900 0.20432700 0.89200000 1.0 Sr Sr22 1 0.45006300 0.70367900 0.38748300 1.0 Sr Sr23 1 0.45099800 0.70688400 0.89325100 1.0 Sr Sr24 1 0.94272400 0.20138300 0.38855900 1.0 Sr Sr25 1 0.94662700 0.20534100 0.89316100 1.0 Sr Sr26 1 0.94485800 0.70224400 0.38949600 1.0 Sr Sr27 1 0.95135100 0.70599800 0.89403800 1.0 Ca Ca28 1 0.30105500 0.06321900 0.10523000 1.0 Ca Ca29 1 0.29982400 0.56741800 0.10553600 1.0 Ca Ca30 1 0.80230500 0.06520400 0.10480700 1.0 Ca Ca31 1 0.05416700 0.78912900 0.10546900 1.0 Fe Fe32 1 0.00124600 0.00096300 0.49857300 1.0 Fe Fe33 1 0.00143100 0.49835100 0.49920500 1.0 Fe Fe34 1 0.25710900 0.25198900 0.00575100 1.0 Fe Fe35 1 0.25409500 0.24963700 0.49972200 1.0 Fe Fe36 1 0.10359500 0.08597300 0.24572300 1.0 Fe Fe37 1 0.10854500 0.09107800 0.75031500 1.0 Fe Fe38 1 0.11138500 0.59332400 0.25025000 1.0 Fe Fe39 1 0.10855500 0.59070200 0.75005100 1.0 Fe Fe40 1 0.60535700 0.09002200 0.25020100 1.0 Fe Fe41 1 0.60868800 0.09140100 0.75123100 1.0 Fe Fe42 1 0.60254100 0.58792800 0.24521300 1.0 Fe Fe43 1 0.60851400 0.59146700 0.75007800 1.0 Fe Fe44 1 0.35585600 0.40751200 0.24594700 1.0 Fe Fe45 1 0.35751000 0.40897800 0.74959500 1.0 Fe Fe46 1 0.35127200 0.90658700 0.24421500 1.0 Fe Fe47 1 0.35864700 0.90827100 0.74919300 1.0 Fe Fe48 1 0.85808800 0.40742900 0.25026000 1.0 Fe Fe49 1 0.85668700 0.40804200 0.74698200 1.0 Fe Fe50 1 0.85979000 0.91294800 0.24925000 1.0 Fe Fe51 1 0.86037600 0.91071500 0.75262200 1.0 Co Co52 1 0.00836800 0.00154000 0.00670000 1.0 Co Co53 1 0.00826200 0.50402400 0.00580300 1.0 Co Co54 1 0.50777600 0.00189000 0.00406100 1.0 Co Co55 1 0.50671100 0.00101200 0.49923800 1.0 Co Co56 1 0.50846300 0.50412200 0.00582200 1.0 Co Co57 1 0.51024600 0.50007300 0.50155400 1.0 Co Co58 1 0.25856300 0.75346900 0.00662500 1.0 Co Co59 1 0.25419000 0.74780900 0.49900900 1.0 Co Co60 1 0.75563200 0.24982900 0.00123400 1.0 Co Co61 1 0.75106900 0.24937900 0.49943900 1.0 Co Co62 1 0.76010100 0.75484900 0.00579600 1.0 Co Co63 1 0.75464300 0.75004500 0.49982000 1.0 O O64 1 0.12355100 0.12085800 0.49197600 1.0 O O65 1 0.12669600 0.12303200 0.99461600 1.0 O O66 1 0.12278600 0.61812400 0.49074500 1.0 O O67 1 0.12880900 0.62283100 0.99621600 1.0 O O68 1 0.62063500 0.12057500 0.49234300 1.0 O O69 1 0.62498600 0.12349100 0.99432800 1.0 O O70 1 0.62275500 0.62308300 0.49109000 1.0 O O71 1 0.62625500 0.62513900 0.99204300 1.0 O O72 1 0.13505800 0.38186400 0.01318400 1.0 O O73 1 0.13001100 0.37477300 0.50658300 1.0 O O74 1 0.13787900 0.88224500 0.01767100 1.0 O O75 1 0.13938500 0.87292000 0.50653000 1.0 O O76 1 0.62705000 0.38483900 0.00805800 1.0 O O77 1 0.62825000 0.37758200 0.50638200 1.0 O O78 1 0.63816200 0.88474100 0.01346300 1.0 O O79 1 0.63719400 0.87603400 0.50774100 1.0 O O80 1 0.37270100 0.12259400 0.49087400 1.0 O O81 1 0.37605200 0.11994500 0.99470700 1.0 O O82 1 0.37537600 0.62465900 0.49259100 1.0 O O83 1 0.38143000 0.61406400 0.99568600 1.0 O O84 1 0.86974300 0.12118300 0.49171100 1.0 O O85 1 0.87535500 0.11734200 0.99478500 1.0 O O86 1 0.87191100 0.62064900 0.49178400 1.0 O O87 1 0.88017100 0.62316700 0.99452500 1.0 O O88 1 0.38184400 0.38310700 0.01340800 1.0 O O89 1 0.38002400 0.38059300 0.50537900 1.0 O O90 1 0.38455500 0.88467900 0.01285300 1.0 O O91 1 0.39121700 0.88759000 0.50569700 1.0 O O92 1 0.88324100 0.38365800 0.01009800 1.0 O O93 1 0.87673700 0.37742800 0.50606700 1.0 O O94 1 0.88936200 0.88453300 0.01785100 1.0 O O95 1 0.88402700 0.87770000 0.50593500 1.0 O O96 1 0.09410900 0.09883200 0.14196600 1.0 O O97 1 0.07964900 0.09001200 0.63768900 1.0 O O98 1 0.09132100 0.60821700 0.14508000 1.0 O O99 1 0.07894300 0.58970200 0.63785600 1.0 O O100 1 0.59535300 0.09889200 0.14598400 1.0 O O101 1 0.58391000 0.09593300 0.64164300 1.0 O O102 1 0.58711400 0.59530700 0.13845800 1.0 O O103 1 0.58115500 0.59303700 0.63874100 1.0 O O104 1 0.44141100 0.40711600 0.35651500 1.0 O O105 1 0.44034100 0.40231400 0.85720900 1.0 O O106 1 0.43808600 0.90814600 0.35520600 1.0 O O107 1 0.44279200 0.90149700 0.85657000 1.0 O O108 1 0.93920200 0.40689800 0.36176800 1.0 O O109 1 0.94215700 0.39809900 0.85262500 1.0 O O110 1 0.94435100 0.91269900 0.36162100 1.0 O O111 1 0.94379700 0.90444000 0.86058100 1.0 O O112 1 0.33190900 0.28455300 0.13960000 1.0 O O113 1 0.33056500 0.29614500 0.63853800 1.0 O O114 1 0.33850500 0.78437000 0.14127200 1.0 O O115 1 0.33313700 0.79647000 0.63854300 1.0 O O116 1 0.83370900 0.28835800 0.14406700 1.0 O O117 1 0.82223200 0.29787600 0.63278500 1.0 O O118 1 0.84065600 0.79523200 0.14419600 1.0 O O119 1 0.83708600 0.79563300 0.64500800 1.0 O O120 1 0.18764600 0.19757200 0.35709600 1.0 O O121 1 0.19253100 0.20295200 0.86048600 1.0 O O122 1 0.19568500 0.70398600 0.36095900 1.0 O O123 1 0.19257600 0.70236200 0.85871400 1.0 O O124 1 0.68333800 0.20006400 0.36430100 1.0 O O125 1 0.69050100 0.20519300 0.85978700 1.0 O O126 1 0.68558000 0.70257400 0.35283500 1.0 O O127 1 0.69366700 0.70415000 0.85787100 1.0 O O128 1 0.42325000 0.06005300 0.24026100 1.0 O O129 1 0.43155900 0.06365200 0.74968000 1.0 O O130 1 0.42257000 0.56025400 0.23976900 1.0 O O131 1 0.43232200 0.56380100 0.75024300 1.0 O O132 1 0.92375000 0.06619600 0.24201800 1.0 O O133 1 0.93302100 0.06517500 0.75070800 1.0 O O134 1 0.93542700 0.55947700 0.24905000 1.0 O O135 1 0.93275300 0.56323200 0.75025500 1.0 O O136 1 0.18209700 0.43689500 0.24881000 1.0 O O137 1 0.18070800 0.43509300 0.74945100 1.0 O O138 1 0.17154000 0.92667800 0.24128400 1.0 O O139 1 0.18226400 0.93654600 0.75023800 1.0 O O140 1 0.68197600 0.43681200 0.24979400 1.0 O O141 1 0.68211500 0.43644200 0.74929800 1.0 O O142 1 0.68404700 0.93806300 0.25102100 1.0 O O143 1 0.68312100 0.93731900 0.75121200 1.0