# generated using pymatgen data_SrCa7FeCo7O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.65074569 _cell_length_b 11.13260157 _cell_length_c 17.03242278 _cell_angle_alpha 108.70279573 _cell_angle_beta 107.83863259 _cell_angle_gamma 90.99717143 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCa7FeCo7O20 _chemical_formula_sum 'Sr4 Ca28 Fe4 Co28 O80' _cell_volume 1805.89758987 _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 0.30655100 0.56327500 0.60888200 1.0 Sr Sr1 1 0.05699600 0.29422000 0.61009600 1.0 Sr Sr2 1 0.55954000 0.29552900 0.61005900 1.0 Sr Sr3 1 0.44957000 0.19980100 0.89015900 1.0 Ca Ca4 1 0.30477800 0.06574100 0.11032300 1.0 Ca Ca5 1 0.30567800 0.06310200 0.60410200 1.0 Ca Ca6 1 0.30636600 0.56735000 0.11099500 1.0 Ca Ca7 1 0.80312700 0.06649700 0.10949000 1.0 Ca Ca8 1 0.80380800 0.06356600 0.60761000 1.0 Ca Ca9 1 0.80815400 0.56624900 0.11061300 1.0 Ca Ca10 1 0.80367700 0.56781200 0.60749000 1.0 Ca Ca11 1 0.19485100 0.43135400 0.38814900 1.0 Ca Ca12 1 0.19844300 0.43431500 0.89700700 1.0 Ca Ca13 1 0.19731300 0.93155700 0.38897900 1.0 Ca Ca14 1 0.19532900 0.93660500 0.89281100 1.0 Ca Ca15 1 0.69525800 0.43260200 0.38899600 1.0 Ca Ca16 1 0.70136400 0.43305900 0.89661600 1.0 Ca Ca17 1 0.69557800 0.93404800 0.39013400 1.0 Ca Ca18 1 0.69538000 0.93888600 0.89256600 1.0 Ca Ca19 1 0.05361800 0.29562100 0.10938300 1.0 Ca Ca20 1 0.05639900 0.79329100 0.10969100 1.0 Ca Ca21 1 0.05334800 0.79362600 0.60779700 1.0 Ca Ca22 1 0.55811300 0.29129600 0.11032000 1.0 Ca Ca23 1 0.55665500 0.79249000 0.11091300 1.0 Ca Ca24 1 0.55491500 0.79537000 0.60780400 1.0 Ca Ca25 1 0.44582500 0.20543500 0.38867800 1.0 Ca Ca26 1 0.44658500 0.70759800 0.39009300 1.0 Ca Ca27 1 0.44854300 0.71465100 0.89605000 1.0 Ca Ca28 1 0.94304600 0.20442600 0.38808200 1.0 Ca Ca29 1 0.94658300 0.20704300 0.89133500 1.0 Ca Ca30 1 0.94523600 0.70482500 0.38976000 1.0 Ca Ca31 1 0.94459700 0.71110300 0.89294800 1.0 Fe Fe32 1 0.10310600 0.59551700 0.75280700 1.0 Fe Fe33 1 0.61422600 0.59712200 0.75464000 1.0 Fe Fe34 1 0.35964000 0.41222400 0.75484900 1.0 Fe Fe35 1 0.35489300 0.90792400 0.74772200 1.0 Co Co36 1 0.00516900 0.00242800 0.00212600 1.0 Co Co37 1 0.00328500 0.99585000 0.49613200 1.0 Co Co38 1 0.00661300 0.50160300 0.00173300 1.0 Co Co39 1 0.00135500 0.49882800 0.49555700 1.0 Co Co40 1 0.50635200 0.99965400 0.00334000 1.0 Co Co41 1 0.50476400 0.99799000 0.49650500 1.0 Co Co42 1 0.50797500 0.49991800 0.00181900 1.0 Co Co43 1 0.50419500 0.49944500 0.49585300 1.0 Co Co44 1 0.25623800 0.25151900 0.00416500 1.0 Co Co45 1 0.25192500 0.24529900 0.49400100 1.0 Co Co46 1 0.25531300 0.75117800 0.00056700 1.0 Co Co47 1 0.25516400 0.74903600 0.49773500 1.0 Co Co48 1 0.75791300 0.25116900 0.00329500 1.0 Co Co49 1 0.75230700 0.24751000 0.49477700 1.0 Co Co50 1 0.75665900 0.75213000 0.00133400 1.0 Co Co51 1 0.75361800 0.74925900 0.49790000 1.0 Co Co52 1 0.10772500 0.09315600 0.24843000 1.0 Co Co53 1 0.10432000 0.09169500 0.75004300 1.0 Co Co54 1 0.10937100 0.59499500 0.25023200 1.0 Co Co55 1 0.60842100 0.09304700 0.25017400 1.0 Co Co56 1 0.61281100 0.09130600 0.74853900 1.0 Co Co57 1 0.60889500 0.59405200 0.24970900 1.0 Co Co58 1 0.35662600 0.40637500 0.24914500 1.0 Co Co59 1 0.35769600 0.90481600 0.24946100 1.0 Co Co60 1 0.85719000 0.40562800 0.24950300 1.0 Co Co61 1 0.86006700 0.40488800 0.75308300 1.0 Co Co62 1 0.85745600 0.90471000 0.24955900 1.0 Co Co63 1 0.85766300 0.90391200 0.75014900 1.0 O O64 1 0.11996400 0.11146800 0.48541300 1.0 O O65 1 0.12477100 0.12764700 0.99007600 1.0 O O66 1 0.11759100 0.61438300 0.48409600 1.0 O O67 1 0.12684000 0.62588700 0.98931400 1.0 O O68 1 0.62222200 0.11696500 0.48231900 1.0 O O69 1 0.62679500 0.11908900 0.99318800 1.0 O O70 1 0.62011200 0.61691200 0.48667000 1.0 O O71 1 0.62965100 0.62662500 0.99083600 1.0 O O72 1 0.13687600 0.38876100 0.01686900 1.0 O O73 1 0.13267500 0.36855600 0.50288800 1.0 O O74 1 0.13316000 0.88730600 0.01435700 1.0 O O75 1 0.13704800 0.87278100 0.51048900 1.0 O O76 1 0.63776400 0.38686100 0.01740300 1.0 O O77 1 0.63898800 0.37761800 0.50752200 1.0 O O78 1 0.63370900 0.88410200 0.01696600 1.0 O O79 1 0.63815900 0.87429000 0.51042600 1.0 O O80 1 0.36815400 0.11899400 0.48429000 1.0 O O81 1 0.37310500 0.10945100 0.99161500 1.0 O O82 1 0.36876000 0.62025000 0.48185300 1.0 O O83 1 0.37742800 0.61191100 0.98896700 1.0 O O84 1 0.86825100 0.11876200 0.48508200 1.0 O O85 1 0.87633600 0.11415400 0.98842200 1.0 O O86 1 0.86762700 0.62181700 0.48526000 1.0 O O87 1 0.87697500 0.61470800 0.98662700 1.0 O O88 1 0.38328900 0.37769600 0.01367200 1.0 O O89 1 0.38465000 0.38299200 0.50312200 1.0 O O90 1 0.38549700 0.87776000 0.01487900 1.0 O O91 1 0.38463400 0.88264500 0.51015300 1.0 O O92 1 0.88747700 0.38455800 0.01361000 1.0 O O93 1 0.88357300 0.38646800 0.50768000 1.0 O O94 1 0.88528100 0.88158500 0.01592700 1.0 O O95 1 0.88716000 0.88338000 0.50934400 1.0 O O96 1 0.08800800 0.10642700 0.14250000 1.0 O O97 1 0.08550600 0.09034800 0.64025700 1.0 O O98 1 0.08811000 0.60580300 0.14350300 1.0 O O99 1 0.07943800 0.60038300 0.63931700 1.0 O O100 1 0.58783000 0.10410500 0.14396400 1.0 O O101 1 0.59080700 0.09115000 0.63863100 1.0 O O102 1 0.58872500 0.60388500 0.14265000 1.0 O O103 1 0.58710200 0.59984100 0.63987200 1.0 O O104 1 0.44570200 0.39803500 0.35657800 1.0 O O105 1 0.45470700 0.40073300 0.86271200 1.0 O O106 1 0.44535000 0.89709900 0.35719400 1.0 O O107 1 0.44798600 0.89899900 0.85843100 1.0 O O108 1 0.94250600 0.39705300 0.35757300 1.0 O O109 1 0.95067600 0.39615600 0.85889300 1.0 O O110 1 0.94397100 0.89563400 0.35779500 1.0 O O111 1 0.94656300 0.89829500 0.85794000 1.0 O O112 1 0.33593500 0.28874500 0.14117400 1.0 O O113 1 0.33065600 0.29187400 0.64230300 1.0 O O114 1 0.33562200 0.78895300 0.14108900 1.0 O O115 1 0.33532000 0.79097000 0.63647100 1.0 O O116 1 0.83795600 0.28986900 0.14233300 1.0 O O117 1 0.83121800 0.28971900 0.64496800 1.0 O O118 1 0.83801300 0.78882400 0.14165600 1.0 O O119 1 0.83664500 0.79035100 0.64162400 1.0 O O120 1 0.19505900 0.20921500 0.35543900 1.0 O O121 1 0.18765800 0.20884300 0.85920800 1.0 O O122 1 0.19552800 0.71130400 0.35753800 1.0 O O123 1 0.19742800 0.71826300 0.86277200 1.0 O O124 1 0.69586800 0.21137300 0.35619300 1.0 O O125 1 0.69506600 0.20640500 0.85801100 1.0 O O126 1 0.69349000 0.71073500 0.35709400 1.0 O O127 1 0.70324000 0.72139000 0.86452400 1.0 O O128 1 0.42502600 0.06727500 0.24961400 1.0 O O129 1 0.42540600 0.06378900 0.74167500 1.0 O O130 1 0.42529800 0.56813100 0.24960000 1.0 O O131 1 0.43381200 0.57442200 0.75852700 1.0 O O132 1 0.92496000 0.06663700 0.24928100 1.0 O O133 1 0.92130800 0.06840700 0.74967300 1.0 O O134 1 0.92647800 0.56799300 0.25029100 1.0 O O135 1 0.92085400 0.57097400 0.75095900 1.0 O O136 1 0.17483100 0.43294500 0.24929500 1.0 O O137 1 0.18062500 0.44126000 0.75943900 1.0 O O138 1 0.17527800 0.93188700 0.24906900 1.0 O O139 1 0.17420700 0.92992800 0.75076700 1.0 O O140 1 0.67517700 0.43224400 0.24928800 1.0 O O141 1 0.68189100 0.44009500 0.75985800 1.0 O O142 1 0.67570400 0.93170400 0.25005700 1.0 O O143 1 0.67476000 0.92861800 0.75024900 1.0