# generated using pymatgen data_Sr5Ca3FeCo7O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.80013392 _cell_length_b 11.20970805 _cell_length_c 17.55641811 _cell_angle_alpha 108.71900564 _cell_angle_beta 108.16629227 _cell_angle_gamma 89.38652774 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5Ca3FeCo7O20 _chemical_formula_sum 'Sr20 Ca12 Fe4 Co28 O80' _cell_volume 1903.26981863 _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 0.30750821 0.05947921 0.60891379 1.0 Sr Sr1 1 0.30557725 0.56602589 0.60925106 1.0 Sr Sr2 1 0.80701020 0.06036514 0.61068922 1.0 Sr Sr3 1 0.81231651 0.56062676 0.61236819 1.0 Sr Sr4 1 0.19435677 0.43772701 0.38354249 1.0 Sr Sr5 1 0.19979634 0.43771015 0.89406824 1.0 Sr Sr6 1 0.69486502 0.43499901 0.38348038 1.0 Sr Sr7 1 0.69377420 0.93501225 0.38345765 1.0 Sr Sr8 1 0.70149977 0.93967084 0.89186959 1.0 Sr Sr9 1 0.05756039 0.29567324 0.61039858 1.0 Sr Sr10 1 0.05910280 0.80253028 0.61095181 1.0 Sr Sr11 1 0.56081999 0.29575752 0.61140638 1.0 Sr Sr12 1 0.55634746 0.80092197 0.61149003 1.0 Sr Sr13 1 0.44285687 0.19882257 0.38311990 1.0 Sr Sr14 1 0.44673390 0.20674789 0.89257393 1.0 Sr Sr15 1 0.44075424 0.69713211 0.38328873 1.0 Sr Sr16 1 0.45259168 0.70459240 0.89428330 1.0 Sr Sr17 1 0.94644252 0.19864022 0.38343403 1.0 Sr Sr18 1 0.94347260 0.19965221 0.89146109 1.0 Sr Sr19 1 0.94674538 0.70111187 0.38361772 1.0 Ca Ca20 1 0.30380897 0.06374459 0.10916154 1.0 Ca Ca21 1 0.30419800 0.56678183 0.10882138 1.0 Ca Ca22 1 0.80269512 0.06798305 0.10883154 1.0 Ca Ca23 1 0.80299717 0.56974010 0.10890486 1.0 Ca Ca24 1 0.19182531 0.93198480 0.38817606 1.0 Ca Ca25 1 0.19164486 0.93471003 0.89438265 1.0 Ca Ca26 1 0.69823040 0.43569470 0.89630269 1.0 Ca Ca27 1 0.04836470 0.29007234 0.11011576 1.0 Ca Ca28 1 0.06050690 0.79451298 0.11062536 1.0 Ca Ca29 1 0.54852189 0.29356425 0.10954432 1.0 Ca Ca30 1 0.55613054 0.79306730 0.10973601 1.0 Ca Ca31 1 0.95407239 0.71258617 0.89693813 1.0 Fe Fe32 1 0.10686992 0.59727935 0.75525297 1.0 Fe Fe33 1 0.61611005 0.59135993 0.75527800 1.0 Fe Fe34 1 0.36208245 0.41121161 0.75155516 1.0 Fe Fe35 1 0.35898649 0.91235712 0.75591852 1.0 Co Co36 1 0.01126256 0.00470750 0.01074199 1.0 Co Co37 1 0.00188826 0.99846724 0.49633682 1.0 Co Co38 1 0.00716406 0.50415759 0.00576109 1.0 Co Co39 1 0.00361100 0.50053671 0.49868903 1.0 Co Co40 1 0.50563279 0.00211531 0.00356908 1.0 Co Co41 1 0.49892191 0.99631363 0.49332710 1.0 Co Co42 1 0.51094396 0.50450510 0.00828432 1.0 Co Co43 1 0.50545102 0.50383495 0.50400435 1.0 Co Co44 1 0.25663699 0.25279983 0.00868301 1.0 Co Co45 1 0.25270104 0.24761891 0.49914582 1.0 Co Co46 1 0.26045653 0.75296383 0.00490422 1.0 Co Co47 1 0.25240227 0.75124163 0.49950167 1.0 Co Co48 1 0.75643914 0.25550575 0.00927341 1.0 Co Co49 1 0.75073924 0.24524733 0.49258312 1.0 Co Co50 1 0.76201373 0.75157625 0.00480024 1.0 Co Co51 1 0.75351549 0.74877019 0.49757248 1.0 Co Co52 1 0.10695177 0.08729003 0.24655138 1.0 Co Co53 1 0.11028247 0.09298396 0.75335037 1.0 Co Co54 1 0.10435400 0.59198527 0.24161411 1.0 Co Co55 1 0.60506553 0.08772396 0.24355396 1.0 Co Co56 1 0.61115951 0.09841679 0.75245765 1.0 Co Co57 1 0.60620749 0.59033873 0.24392039 1.0 Co Co58 1 0.35405330 0.40392481 0.24214258 1.0 Co Co59 1 0.35561414 0.90327922 0.24643296 1.0 Co Co60 1 0.85642016 0.40567397 0.24435851 1.0 Co Co61 1 0.86028941 0.41040090 0.75835453 1.0 Co Co62 1 0.86047024 0.90383840 0.24314580 1.0 Co Co63 1 0.86358237 0.90365558 0.75081187 1.0 O O64 1 0.11951232 0.11373649 0.48757241 1.0 O O65 1 0.11846309 0.11366147 0.99474999 1.0 O O66 1 0.12181822 0.62070597 0.49014452 1.0 O O67 1 0.12200615 0.61853361 0.99457398 1.0 O O68 1 0.62127869 0.11734734 0.49146696 1.0 O O69 1 0.61945523 0.12237902 0.99934882 1.0 O O70 1 0.61964525 0.61136349 0.49174464 1.0 O O71 1 0.63068367 0.61572507 0.99150416 1.0 O O72 1 0.13738231 0.37094452 0.01584515 1.0 O O73 1 0.13669880 0.37083465 0.50335974 1.0 O O74 1 0.14226923 0.88252461 0.01557841 1.0 O O75 1 0.12864270 0.87658522 0.50032324 1.0 O O76 1 0.63162933 0.38535564 0.01612606 1.0 O O77 1 0.63672230 0.36689396 0.50326930 1.0 O O78 1 0.64886189 0.87558981 0.01835020 1.0 O O79 1 0.63162712 0.86620818 0.50204769 1.0 O O80 1 0.36721863 0.12413308 0.48886812 1.0 O O81 1 0.36239063 0.12262509 0.99175765 1.0 O O82 1 0.37152672 0.62257954 0.48969258 1.0 O O83 1 0.38578938 0.61991243 0.99907432 1.0 O O84 1 0.87163626 0.12533772 0.49322688 1.0 O O85 1 0.87428926 0.12165520 0.99699134 1.0 O O86 1 0.86910670 0.62593468 0.49168087 1.0 O O87 1 0.87575888 0.62958750 0.99170572 1.0 O O88 1 0.38764123 0.38914557 0.02064550 1.0 O O89 1 0.38933373 0.38507188 0.50438478 1.0 O O90 1 0.39614091 0.89047524 0.01635089 1.0 O O91 1 0.37662414 0.88049210 0.50013879 1.0 O O92 1 0.88757752 0.39394985 0.01505647 1.0 O O93 1 0.88382111 0.37968557 0.50389101 1.0 O O94 1 0.89855464 0.88919288 0.01558167 1.0 O O95 1 0.88074948 0.88346101 0.50281382 1.0 O O96 1 0.09453483 0.10237009 0.14334101 1.0 O O97 1 0.08235698 0.08865577 0.64447414 1.0 O O98 1 0.09039358 0.60324493 0.13743968 1.0 O O99 1 0.07826830 0.59622842 0.64355711 1.0 O O100 1 0.58696666 0.10511783 0.14145310 1.0 O O101 1 0.57988513 0.09058743 0.64278729 1.0 O O102 1 0.59662142 0.60811530 0.14273127 1.0 O O103 1 0.58674765 0.59043768 0.64219177 1.0 O O104 1 0.43334125 0.40604288 0.35000369 1.0 O O105 1 0.44788240 0.40689776 0.86124877 1.0 O O106 1 0.43807608 0.90846348 0.35507769 1.0 O O107 1 0.45120257 0.90906407 0.86684754 1.0 O O108 1 0.93374899 0.40929587 0.35320160 1.0 O O109 1 0.94276244 0.40540862 0.86463644 1.0 O O110 1 0.93923417 0.90984288 0.35205125 1.0 O O111 1 0.94775500 0.89621588 0.85646958 1.0 O O112 1 0.33783887 0.28278780 0.14003818 1.0 O O113 1 0.33021119 0.29733661 0.63931377 1.0 O O114 1 0.34056919 0.78750495 0.14316578 1.0 O O115 1 0.32981495 0.80226029 0.64343894 1.0 O O116 1 0.84295026 0.28659514 0.14306297 1.0 O O117 1 0.83404159 0.30660342 0.65006111 1.0 O O118 1 0.84811292 0.78611871 0.14070156 1.0 O O119 1 0.82940090 0.80064896 0.63970085 1.0 O O120 1 0.18394809 0.19837956 0.35389882 1.0 O O121 1 0.18948619 0.20686603 0.85832587 1.0 O O122 1 0.18104485 0.70255843 0.34787001 1.0 O O123 1 0.19760925 0.71478635 0.86372190 1.0 O O124 1 0.68519338 0.19270899 0.35444001 1.0 O O125 1 0.68787676 0.21089149 0.85941767 1.0 O O126 1 0.68420285 0.69384518 0.35382473 1.0 O O127 1 0.70350161 0.70972940 0.86306682 1.0 O O128 1 0.42499644 0.05756212 0.23981701 1.0 O O129 1 0.43270352 0.06528030 0.75284583 1.0 O O130 1 0.42535152 0.55885092 0.23792088 1.0 O O131 1 0.43529078 0.56758954 0.75186079 1.0 O O132 1 0.92514653 0.06026788 0.23828388 1.0 O O133 1 0.93314273 0.06188190 0.75217572 1.0 O O134 1 0.92482130 0.56011838 0.23825667 1.0 O O135 1 0.93241891 0.57280719 0.76215456 1.0 O O136 1 0.17354487 0.43151566 0.23799219 1.0 O O137 1 0.18494082 0.44078796 0.75335411 1.0 O O138 1 0.17527046 0.92802964 0.24775826 1.0 O O139 1 0.18320507 0.93576445 0.76075084 1.0 O O140 1 0.67402788 0.42953546 0.23844905 1.0 O O141 1 0.67960763 0.43297433 0.76059404 1.0 O O142 1 0.67830417 0.92907023 0.23851401 1.0 O O143 1 0.68738398 0.94100341 0.75276262 1.0