# generated using pymatgen data_Sr2Ca6FeCo7O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.70788378 _cell_length_b 11.18893017 _cell_length_c 17.18163478 _cell_angle_alpha 108.93020166 _cell_angle_beta 108.15796629 _cell_angle_gamma 90.04977557 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ca6FeCo7O20 _chemical_formula_sum 'Sr8 Ca24 Fe4 Co28 O80' _cell_volume 1838.27737958 _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 0.30780144 0.56355325 0.60762984 1.0 Sr Sr1 1 0.80632981 0.06199897 0.61021006 1.0 Sr Sr2 1 0.19846211 0.43924594 0.89365339 1.0 Sr Sr3 1 0.05295891 0.29117285 0.60777019 1.0 Sr Sr4 1 0.05641390 0.79938661 0.61049296 1.0 Sr Sr5 1 0.56144154 0.29768203 0.60968944 1.0 Sr Sr6 1 0.45111323 0.20430609 0.89156806 1.0 Sr Sr7 1 0.94133239 0.19939972 0.38365669 1.0 Ca Ca8 1 0.30544801 0.06388029 0.11042863 1.0 Ca Ca9 1 0.30495766 0.05967309 0.60483857 1.0 Ca Ca10 1 0.30674508 0.57031979 0.11183057 1.0 Ca Ca11 1 0.80545465 0.06753151 0.10757692 1.0 Ca Ca12 1 0.80379840 0.56600218 0.11048282 1.0 Ca Ca13 1 0.80326848 0.56622727 0.60686653 1.0 Ca Ca14 1 0.19791415 0.43364560 0.38798122 1.0 Ca Ca15 1 0.19715423 0.92648164 0.38917708 1.0 Ca Ca16 1 0.19593422 0.93333398 0.89571986 1.0 Ca Ca17 1 0.69660537 0.43636029 0.39066194 1.0 Ca Ca18 1 0.69906071 0.43054341 0.89564238 1.0 Ca Ca19 1 0.69266156 0.93569361 0.38901451 1.0 Ca Ca20 1 0.69793774 0.93871975 0.89221216 1.0 Ca Ca21 1 0.05336651 0.29132015 0.11056697 1.0 Ca Ca22 1 0.05967502 0.79286657 0.11051997 1.0 Ca Ca23 1 0.55689869 0.29454258 0.11192141 1.0 Ca Ca24 1 0.55275552 0.79517558 0.11082234 1.0 Ca Ca25 1 0.55531358 0.79552719 0.60701643 1.0 Ca Ca26 1 0.44936171 0.20757145 0.38815514 1.0 Ca Ca27 1 0.44508498 0.70700506 0.38944734 1.0 Ca Ca28 1 0.44293294 0.71472780 0.89549813 1.0 Ca Ca29 1 0.94319131 0.20612370 0.89333040 1.0 Ca Ca30 1 0.94688015 0.70313839 0.38870415 1.0 Ca Ca31 1 0.94935230 0.70915467 0.89474157 1.0 Fe Fe32 1 0.10209235 0.59458150 0.74917520 1.0 Fe Fe33 1 0.61552582 0.60001871 0.75554423 1.0 Fe Fe34 1 0.36309980 0.41260024 0.75198879 1.0 Fe Fe35 1 0.36194723 0.90990594 0.75177648 1.0 Co Co36 1 0.00729855 0.00028743 0.00241711 1.0 Co Co37 1 -0.00092269 0.99262821 0.49126047 1.0 Co Co38 1 0.00721789 0.50208057 0.00554119 1.0 Co Co39 1 0.00051890 0.49861889 0.49500890 1.0 Co Co40 1 0.50709897 0.00119250 0.00294058 1.0 Co Co41 1 0.50302025 0.99840625 0.49545295 1.0 Co Co42 1 0.50766063 0.50349209 0.00362199 1.0 Co Co43 1 0.50553206 0.49939813 0.49498676 1.0 Co Co44 1 0.25593105 0.25137464 0.00480597 1.0 Co Co45 1 0.25383910 0.24444910 0.49388444 1.0 Co Co46 1 0.25678652 0.75299486 0.00353360 1.0 Co Co47 1 0.25492175 0.74711333 0.49733643 1.0 Co Co48 1 0.75872954 0.25270406 0.00663299 1.0 Co Co49 1 0.74898166 0.24889549 0.49087847 1.0 Co Co50 1 0.75629775 0.75155588 0.00068737 1.0 Co Co51 1 0.74992676 0.74679774 0.49292509 1.0 Co Co52 1 0.11021488 0.08968060 0.24689230 1.0 Co Co53 1 0.10941370 0.09182512 0.75567630 1.0 Co Co54 1 0.10708085 0.59199798 0.24835426 1.0 Co Co55 1 0.60595310 0.09424745 0.24977794 1.0 Co Co56 1 0.60886421 0.09132385 0.74772496 1.0 Co Co57 1 0.60796409 0.59485014 0.24926791 1.0 Co Co58 1 0.35689069 0.40595403 0.24853484 1.0 Co Co59 1 0.35875190 0.90637210 0.25120153 1.0 Co Co60 1 0.85785655 0.40930518 0.24980398 1.0 Co Co61 1 0.85779800 0.40831508 0.75329814 1.0 Co Co62 1 0.85698059 0.90110529 0.24576807 1.0 Co Co63 1 0.85701446 0.90222060 0.75299638 1.0 O O64 1 0.12147917 0.10859193 0.48846887 1.0 O O65 1 0.12781724 0.12594346 0.99175544 1.0 O O66 1 0.12266749 0.61486126 0.48164128 1.0 O O67 1 0.12394142 0.62613007 0.99139459 1.0 O O68 1 0.61659825 0.12324207 0.48078853 1.0 O O69 1 0.62948304 0.12588883 0.99438027 1.0 O O70 1 0.62023609 0.61864537 0.48500247 1.0 O O71 1 0.63003979 0.63120783 0.98994210 1.0 O O72 1 0.13028179 0.38659281 0.01698056 1.0 O O73 1 0.13726688 0.36609687 0.50281968 1.0 O O74 1 0.13652081 0.88350362 0.01532420 1.0 O O75 1 0.13497917 0.87255272 0.50519740 1.0 O O76 1 0.63969508 0.38594920 0.01819368 1.0 O O77 1 0.63921936 0.38260001 0.50810857 1.0 O O78 1 0.63467326 0.88890206 0.01633971 1.0 O O79 1 0.63233989 0.87129731 0.50602795 1.0 O O80 1 0.36523979 0.11973579 0.48388753 1.0 O O81 1 0.37908144 0.11082229 0.99362281 1.0 O O82 1 0.37203982 0.61839364 0.48299276 1.0 O O83 1 0.37921939 0.62400693 0.99440402 1.0 O O84 1 0.86414146 0.11568173 0.48377788 1.0 O O85 1 0.87409653 0.11337189 0.98824301 1.0 O O86 1 0.86698738 0.62079366 0.48325323 1.0 O O87 1 0.87778944 0.60981620 0.98966241 1.0 O O88 1 0.38106647 0.37848265 0.01726304 1.0 O O89 1 0.38704272 0.38062865 0.50252688 1.0 O O90 1 0.38751758 0.88347670 0.01752118 1.0 O O91 1 0.38207529 0.88077362 0.50841025 1.0 O O92 1 0.88465899 0.37903086 0.01512895 1.0 O O93 1 0.87907783 0.38395712 0.50865654 1.0 O O94 1 0.88597233 0.87748942 0.01576756 1.0 O O95 1 0.88106066 0.88024585 0.50081383 1.0 O O96 1 0.09088660 0.10276911 0.14155808 1.0 O O97 1 0.08370983 0.08614653 0.64468934 1.0 O O98 1 0.08803468 0.60319458 0.14147598 1.0 O O99 1 0.07629648 0.59190945 0.63562213 1.0 O O100 1 0.58969348 0.10649892 0.14491459 1.0 O O101 1 0.58124029 0.09036082 0.63776480 1.0 O O102 1 0.58888093 0.60598573 0.14300819 1.0 O O103 1 0.58824396 0.60121982 0.64089315 1.0 O O104 1 0.44470514 0.39854466 0.35601441 1.0 O O105 1 0.45142344 0.40457914 0.86267670 1.0 O O106 1 0.44276619 0.89830618 0.35818482 1.0 O O107 1 0.45653411 0.90211493 0.86302026 1.0 O O108 1 0.94506646 0.40708401 0.35790881 1.0 O O109 1 0.94173910 0.39482772 0.85867150 1.0 O O110 1 0.94506772 0.89677303 0.35488770 1.0 O O111 1 0.94672851 0.89549595 0.86045347 1.0 O O112 1 0.33553821 0.28719858 0.14217222 1.0 O O113 1 0.33439358 0.28929800 0.64078610 1.0 O O114 1 0.33962123 0.78937941 0.14570022 1.0 O O115 1 0.33616934 0.79377273 0.63942578 1.0 O O116 1 0.84268906 0.28898240 0.14503599 1.0 O O117 1 0.82825818 0.30007764 0.64303639 1.0 O O118 1 0.83707504 0.78462574 0.13930579 1.0 O O119 1 0.82988180 0.79331899 0.64264960 1.0 O O120 1 0.19255179 0.20771752 0.35438127 1.0 O O121 1 0.19278088 0.20670577 0.86385843 1.0 O O122 1 0.19451630 0.70616296 0.35450232 1.0 O O123 1 0.19902683 0.71475008 0.85816335 1.0 O O124 1 0.68635543 0.21119760 0.35954284 1.0 O O125 1 0.69285821 0.20763122 0.85521680 1.0 O O126 1 0.69261634 0.71187669 0.35483335 1.0 O O127 1 0.70776201 0.72124574 0.86485764 1.0 O O128 1 0.42479132 0.06674414 0.24929893 1.0 O O129 1 0.42426506 0.06565803 0.74396747 1.0 O O130 1 0.42558049 0.56702638 0.24933636 1.0 O O131 1 0.43496433 0.57584927 0.75821785 1.0 O O132 1 0.92593137 0.05601920 0.23979532 1.0 O O133 1 0.92993308 0.06549387 0.75872091 1.0 O O134 1 0.92464227 0.56911379 0.24820270 1.0 O O135 1 0.92256840 0.57216820 0.75233109 1.0 O O136 1 0.17449028 0.43145440 0.24827425 1.0 O O137 1 0.18223778 0.43986658 0.75030322 1.0 O O138 1 0.17615290 0.92947836 0.24969078 1.0 O O139 1 0.18581706 0.93499647 0.76054564 1.0 O O140 1 0.67546502 0.43347340 0.24955376 1.0 O O141 1 0.67941856 0.44082014 0.76015928 1.0 O O142 1 0.67734190 0.93491066 0.24964505 1.0 O O143 1 0.67308993 0.92985910 0.75092491 1.0