# generated using pymatgen data_Sr6Ca2Fe5Co3O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.88392614 _cell_length_b 11.34572783 _cell_length_c 17.62793522 _cell_angle_alpha 108.63102814 _cell_angle_beta 108.00931752 _cell_angle_gamma 90.16026102 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr6Ca2Fe5Co3O20 _chemical_formula_sum 'Sr24 Ca8 Fe20 Co12 O80' _cell_volume 1949.16975732 _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 0.30889600 0.06191600 0.60880200 1.0 Sr Sr1 1 0.31084700 0.56407100 0.61039500 1.0 Sr Sr2 1 0.80506400 0.06225800 0.61013100 1.0 Sr Sr3 1 0.80578800 0.56719300 0.61169400 1.0 Sr Sr4 1 0.20025400 0.43439400 0.38840100 1.0 Sr Sr5 1 0.19673800 0.43727300 0.89254100 1.0 Sr Sr6 1 0.19850100 0.93499800 0.38806200 1.0 Sr Sr7 1 0.69278400 0.43715800 0.38769200 1.0 Sr Sr8 1 0.70031200 0.43948200 0.89317500 1.0 Sr Sr9 1 0.69492500 0.93392700 0.38985800 1.0 Sr Sr10 1 0.69967000 0.93673100 0.89391800 1.0 Sr Sr11 1 0.05202600 0.29274500 0.10875700 1.0 Sr Sr12 1 0.05544100 0.29482600 0.61055100 1.0 Sr Sr13 1 0.05594100 0.79912300 0.61119600 1.0 Sr Sr14 1 0.55713700 0.29495100 0.60907600 1.0 Sr Sr15 1 0.55714400 0.79668000 0.10920300 1.0 Sr Sr16 1 0.56129200 0.79725800 0.60957900 1.0 Sr Sr17 1 0.44572200 0.20202900 0.38623600 1.0 Sr Sr18 1 0.45059000 0.20490300 0.89239200 1.0 Sr Sr19 1 0.45018900 0.70317100 0.38807500 1.0 Sr Sr20 1 0.45007200 0.70719900 0.89378300 1.0 Sr Sr21 1 0.94296900 0.20037400 0.38661100 1.0 Sr Sr22 1 0.94551500 0.20596000 0.89329700 1.0 Sr Sr23 1 0.94444300 0.70251500 0.38708000 1.0 Ca Ca24 1 0.30185500 0.06320700 0.10399000 1.0 Ca Ca25 1 0.29937300 0.56784400 0.10537400 1.0 Ca Ca26 1 0.80223800 0.06581700 0.10382300 1.0 Ca Ca27 1 0.80688700 0.57039000 0.10488900 1.0 Ca Ca28 1 0.19924200 0.93237300 0.89713300 1.0 Ca Ca29 1 0.05400700 0.78769900 0.10410500 1.0 Ca Ca30 1 0.55722400 0.28469500 0.10599100 1.0 Ca Ca31 1 0.95163800 0.71345900 0.89774300 1.0 Fe Fe32 1 0.00337200 0.99842100 0.49911000 1.0 Fe Fe33 1 0.00344200 0.50054600 0.49990700 1.0 Fe Fe34 1 0.25766700 0.25057800 0.00423900 1.0 Fe Fe35 1 0.25521600 0.24833300 0.49968500 1.0 Fe Fe36 1 0.10468100 0.08544000 0.24524000 1.0 Fe Fe37 1 0.11035000 0.09051900 0.75423000 1.0 Fe Fe38 1 0.10580600 0.59176700 0.24673200 1.0 Fe Fe39 1 0.10724800 0.59622400 0.75206800 1.0 Fe Fe40 1 0.60504300 0.09148400 0.24716900 1.0 Fe Fe41 1 0.60780100 0.09000600 0.74922700 1.0 Fe Fe42 1 0.60309100 0.58478300 0.24350300 1.0 Fe Fe43 1 0.61204200 0.59258700 0.75253500 1.0 Fe Fe44 1 0.35593900 0.40729400 0.24403100 1.0 Fe Fe45 1 0.35835300 0.40952200 0.75078400 1.0 Fe Fe46 1 0.35310300 0.90729900 0.24664200 1.0 Fe Fe47 1 0.35673200 0.90892500 0.75218800 1.0 Fe Fe48 1 0.85296200 0.40779600 0.24628500 1.0 Fe Fe49 1 0.85964900 0.41338700 0.75239600 1.0 Fe Fe50 1 0.85803800 0.90862100 0.24673600 1.0 Fe Fe51 1 0.86281600 0.90749000 0.75320100 1.0 Co Co52 1 0.00758800 0.99952600 0.00339300 1.0 Co Co53 1 0.00665600 0.50380400 0.00336700 1.0 Co Co54 1 0.50682100 0.00181100 0.00287400 1.0 Co Co55 1 0.50383700 0.99973800 0.49887000 1.0 Co Co56 1 0.51064600 0.50366300 0.00875800 1.0 Co Co57 1 0.50650500 0.50124900 0.50075600 1.0 Co Co58 1 0.25613200 0.75257300 0.00325100 1.0 Co Co59 1 0.25554000 0.75269300 0.50006900 1.0 Co Co60 1 0.75679300 0.25348900 0.00518200 1.0 Co Co61 1 0.75274800 0.24768900 0.49929800 1.0 Co Co62 1 0.75967600 0.75307200 0.00366500 1.0 Co Co63 1 0.75397300 0.75006500 0.49955100 1.0 O O64 1 0.12397600 0.12199800 0.49153400 1.0 O O65 1 0.12740000 0.11673500 0.99004300 1.0 O O66 1 0.13263800 0.62688700 0.49176300 1.0 O O67 1 0.12530600 0.62511800 0.99170000 1.0 O O68 1 0.62569500 0.12824900 0.49244300 1.0 O O69 1 0.62493800 0.12645200 0.99568800 1.0 O O70 1 0.62537000 0.62160300 0.49020100 1.0 O O71 1 0.62935200 0.62315300 0.99358200 1.0 O O72 1 0.13686700 0.38176000 0.01333400 1.0 O O73 1 0.12963600 0.37784500 0.50693900 1.0 O O74 1 0.13531700 0.88007700 0.01272700 1.0 O O75 1 0.13146400 0.87996300 0.50819700 1.0 O O76 1 0.63075400 0.38683200 0.01406200 1.0 O O77 1 0.62428100 0.38626100 0.50734800 1.0 O O78 1 0.63875400 0.88502600 0.01424700 1.0 O O79 1 0.62972200 0.88253400 0.50820800 1.0 O O80 1 0.37610900 0.11639100 0.49090800 1.0 O O81 1 0.37524100 0.11753900 0.99251200 1.0 O O82 1 0.38285600 0.61181200 0.49172000 1.0 O O83 1 0.38118600 0.61225000 0.99534200 1.0 O O84 1 0.87449000 0.11661400 0.49132400 1.0 O O85 1 0.87568700 0.11643100 0.99334200 1.0 O O86 1 0.87705400 0.61829900 0.49178400 1.0 O O87 1 0.88027000 0.62427500 0.99214000 1.0 O O88 1 0.38841400 0.38201800 0.01739000 1.0 O O89 1 0.38079500 0.37815600 0.50708000 1.0 O O90 1 0.38150100 0.88539500 0.01151700 1.0 O O91 1 0.38042500 0.87362100 0.50577300 1.0 O O92 1 0.88190500 0.38896700 0.01402400 1.0 O O93 1 0.87415900 0.37473300 0.50689700 1.0 O O94 1 0.89048000 0.88186100 0.01551600 1.0 O O95 1 0.88187200 0.87943100 0.50662100 1.0 O O96 1 0.09452700 0.09929800 0.14177400 1.0 O O97 1 0.08396000 0.09191200 0.64240500 1.0 O O98 1 0.09058700 0.60704200 0.14217500 1.0 O O99 1 0.07750400 0.59098500 0.63754500 1.0 O O100 1 0.58947000 0.10572900 0.14285100 1.0 O O101 1 0.57535800 0.08752900 0.63503300 1.0 O O102 1 0.59204100 0.59931700 0.13900100 1.0 O O103 1 0.58363400 0.59760500 0.64216100 1.0 O O104 1 0.43936900 0.40359900 0.35409600 1.0 O O105 1 0.44105200 0.40142500 0.85790600 1.0 O O106 1 0.43820900 0.91482600 0.36198500 1.0 O O107 1 0.44566600 0.90260000 0.85882700 1.0 O O108 1 0.93945900 0.41134900 0.36026700 1.0 O O109 1 0.94242700 0.40022500 0.85823500 1.0 O O110 1 0.94224500 0.90861900 0.35873800 1.0 O O111 1 0.94718100 0.89393900 0.85930200 1.0 O O112 1 0.33473200 0.28315600 0.13824000 1.0 O O113 1 0.33021000 0.29574800 0.63861100 1.0 O O114 1 0.33794300 0.78369300 0.14395500 1.0 O O115 1 0.33085200 0.79674900 0.64028300 1.0 O O116 1 0.83451100 0.28398700 0.14327200 1.0 O O117 1 0.83149900 0.29829800 0.64105200 1.0 O O118 1 0.83960400 0.78585000 0.14279100 1.0 O O119 1 0.83437300 0.79623500 0.64270300 1.0 O O120 1 0.18874900 0.19759700 0.35849200 1.0 O O121 1 0.19419900 0.20790700 0.86269400 1.0 O O122 1 0.18973200 0.70223900 0.35874500 1.0 O O123 1 0.19466600 0.71309700 0.85825200 1.0 O O124 1 0.68561300 0.20405600 0.35936800 1.0 O O125 1 0.68945900 0.20610200 0.85666700 1.0 O O126 1 0.68633800 0.69902900 0.35310500 1.0 O O127 1 0.69951400 0.70521200 0.86081400 1.0 O O128 1 0.42360500 0.05888500 0.24002700 1.0 O O129 1 0.43168400 0.06229300 0.75006500 1.0 O O130 1 0.42292200 0.56195900 0.23976500 1.0 O O131 1 0.43489400 0.56413500 0.75191100 1.0 O O132 1 0.92408000 0.06248900 0.24035300 1.0 O O133 1 0.93307600 0.06366700 0.75222600 1.0 O O134 1 0.92427200 0.55985700 0.24018700 1.0 O O135 1 0.93329800 0.57317200 0.75858900 1.0 O O136 1 0.18117900 0.43772300 0.24740800 1.0 O O137 1 0.18188100 0.44125200 0.75096900 1.0 O O138 1 0.17297300 0.92695400 0.24163200 1.0 O O139 1 0.18205500 0.93622200 0.75881100 1.0 O O140 1 0.67233900 0.42704600 0.24122800 1.0 O O141 1 0.68164900 0.43607400 0.75003400 1.0 O O142 1 0.68283000 0.93919900 0.24938400 1.0 O O143 1 0.68567300 0.93881900 0.75166200 1.0