# generated using pymatgen data_Sr4Ca4FeCo7O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.76650614 _cell_length_b 11.18687423 _cell_length_c 17.43311249 _cell_angle_alpha 108.86156872 _cell_angle_beta 108.20737887 _cell_angle_gamma 89.46130575 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4Ca4FeCo7O20 _chemical_formula_sum 'Sr16 Ca16 Fe4 Co28 O80' _cell_volume 1877.64639581 _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 0.30494429 0.56185389 0.60931834 1.0 Sr Sr1 1 0.80832729 0.06039754 0.60894458 1.0 Sr Sr2 1 0.80828179 0.56268621 0.61134895 1.0 Sr Sr3 1 0.19306760 0.43557713 0.38513877 1.0 Sr Sr4 1 0.19401957 0.43896339 0.89271877 1.0 Sr Sr5 1 0.69378841 0.43589256 0.38387907 1.0 Sr Sr6 1 0.69667976 0.93630352 0.38439365 1.0 Sr Sr7 1 0.69899539 0.93809297 0.89088887 1.0 Sr Sr8 1 0.05894548 0.29312394 0.60839217 1.0 Sr Sr9 1 0.05945780 0.80178032 0.61044938 1.0 Sr Sr10 1 0.55547298 0.29558777 0.60968752 1.0 Sr Sr11 1 0.55716833 0.79933726 0.61110756 1.0 Sr Sr12 1 0.44184750 0.19823047 0.38506435 1.0 Sr Sr13 1 0.44779763 0.20304115 0.88895029 1.0 Sr Sr14 1 0.94755629 0.19834378 0.38569640 1.0 Sr Sr15 1 0.94510767 0.20023634 0.88965253 1.0 Ca Ca16 1 0.30794840 0.06591934 0.11040460 1.0 Ca Ca17 1 0.30615757 0.06307508 0.60367241 1.0 Ca Ca18 1 0.30277018 0.57069328 0.11244187 1.0 Ca Ca19 1 0.80329417 0.06749130 0.11100836 1.0 Ca Ca20 1 0.80428069 0.56970443 0.11295726 1.0 Ca Ca21 1 0.19895570 0.93319741 0.39042164 1.0 Ca Ca22 1 0.19856800 0.93277241 0.89420183 1.0 Ca Ca23 1 0.69660006 0.43333757 0.89441667 1.0 Ca Ca24 1 0.05607589 0.29083624 0.11147369 1.0 Ca Ca25 1 0.05637384 0.79314477 0.11216089 1.0 Ca Ca26 1 0.55137711 0.29239233 0.10990214 1.0 Ca Ca27 1 0.55052072 0.79458308 0.10926556 1.0 Ca Ca28 1 0.44337584 0.70526393 0.38909572 1.0 Ca Ca29 1 0.44244452 0.71376166 0.89427298 1.0 Ca Ca30 1 0.94923171 0.70914070 0.38953131 1.0 Ca Ca31 1 0.94634560 0.70943479 0.89500070 1.0 Fe Fe32 1 0.10742350 0.59667282 0.75346896 1.0 Fe Fe33 1 0.61091914 0.59234776 0.75515100 1.0 Fe Fe34 1 0.36315935 0.41227637 0.75485705 1.0 Fe Fe35 1 0.35776565 0.90941476 0.75183357 1.0 Co Co36 1 0.01143277 0.00150461 0.00741160 1.0 Co Co37 1 0.00494150 0.99779807 0.49636187 1.0 Co Co38 1 0.00680509 0.50466106 0.00627691 1.0 Co Co39 1 0.00227655 0.50032559 0.49806858 1.0 Co Co40 1 0.50671507 0.00019407 0.00527900 1.0 Co Co41 1 0.50223694 0.99737505 0.49633003 1.0 Co Co42 1 0.50620704 0.50424363 0.00362707 1.0 Co Co43 1 0.50246518 0.49964031 0.49900658 1.0 Co Co44 1 0.25851180 0.25366879 0.00739893 1.0 Co Co45 1 0.25285395 0.24685887 0.49821498 1.0 Co Co46 1 0.25592637 0.75287268 0.00391294 1.0 Co Co47 1 0.25335299 0.74978856 0.49816322 1.0 Co Co48 1 0.76041828 0.25729490 0.01177629 1.0 Co Co49 1 0.75208106 0.24845481 0.49633936 1.0 Co Co50 1 0.75725313 0.75089781 0.00283987 1.0 Co Co51 1 0.75146719 0.74653590 0.49287778 1.0 Co Co52 1 0.10721837 0.08651063 0.24496714 1.0 Co Co53 1 0.11405056 0.09290557 0.75252872 1.0 Co Co54 1 0.10677824 0.59644394 0.24696661 1.0 Co Co55 1 0.60667556 0.08882432 0.24477105 1.0 Co Co56 1 0.60762852 0.09731996 0.74861585 1.0 Co Co57 1 0.60577483 0.59357439 0.24500862 1.0 Co Co58 1 0.35643185 0.40900243 0.24624901 1.0 Co Co59 1 0.35560994 0.90026620 0.24763195 1.0 Co Co60 1 0.85734873 0.40986418 0.24688354 1.0 Co Co61 1 0.85802002 0.40953854 0.75555184 1.0 Co Co62 1 0.86013490 0.90001020 0.24466714 1.0 Co Co63 1 0.86562449 0.90498789 0.75269403 1.0 O O64 1 0.12734498 0.11602898 0.48909042 1.0 O O65 1 0.13561463 0.12903221 0.99462199 1.0 O O66 1 0.12034779 0.62460762 0.48591146 1.0 O O67 1 0.12190105 0.63113949 0.99286674 1.0 O O68 1 0.62433796 0.12270882 0.49122152 1.0 O O69 1 0.63526241 0.13623810 0.99841871 1.0 O O70 1 0.61997986 0.62315968 0.48487620 1.0 O O71 1 0.62830155 0.63313757 0.99030987 1.0 O O72 1 0.12876634 0.38937988 0.01773061 1.0 O O73 1 0.13186632 0.37444634 0.50577094 1.0 O O74 1 0.13314689 0.88692725 0.01236230 1.0 O O75 1 0.13318984 0.87875581 0.50257601 1.0 O O76 1 0.63332330 0.39286760 0.01743743 1.0 O O77 1 0.62623776 0.38134685 0.50263014 1.0 O O78 1 0.63421248 0.89063764 0.01633852 1.0 O O79 1 0.63321689 0.86696878 0.50041372 1.0 O O80 1 0.36810695 0.11442237 0.48748856 1.0 O O81 1 0.38259625 0.11157642 0.99325138 1.0 O O82 1 0.37771160 0.61680599 0.48905886 1.0 O O83 1 0.38126897 0.61668006 0.99457380 1.0 O O84 1 0.87565125 0.11820267 0.49204016 1.0 O O85 1 0.88501982 0.11362901 0.99769961 1.0 O O86 1 0.86909287 0.62759366 0.48899215 1.0 O O87 1 0.87523801 0.60715157 0.99144959 1.0 O O88 1 0.37953491 0.37782769 0.01603403 1.0 O O89 1 0.37792205 0.37577659 0.50565267 1.0 O O90 1 0.38640325 0.88027892 0.01638053 1.0 O O91 1 0.37979846 0.87631491 0.50364464 1.0 O O92 1 0.87852522 0.37606075 0.01483187 1.0 O O93 1 0.87730064 0.37800942 0.50424442 1.0 O O94 1 0.88570346 0.87322187 0.01656802 1.0 O O95 1 0.88270856 0.87591723 0.50251446 1.0 O O96 1 0.09567681 0.10009814 0.14041634 1.0 O O97 1 0.09137758 0.08659905 0.64385067 1.0 O O98 1 0.08567155 0.60570985 0.14040621 1.0 O O99 1 0.07595238 0.59476947 0.64061780 1.0 O O100 1 0.58984881 0.10556514 0.14090578 1.0 O O101 1 0.57975649 0.08749755 0.63892589 1.0 O O102 1 0.58684477 0.60697063 0.14018146 1.0 O O103 1 0.58152523 0.59068936 0.64179013 1.0 O O104 1 0.43324109 0.40555166 0.35336503 1.0 O O105 1 0.45148863 0.40745576 0.86588840 1.0 O O106 1 0.43676539 0.89990619 0.35588283 1.0 O O107 1 0.44910361 0.90075608 0.86247577 1.0 O O108 1 0.93246181 0.40607388 0.35353001 1.0 O O109 1 0.94183837 0.40297953 0.86219088 1.0 O O110 1 0.93955576 0.90045702 0.35290553 1.0 O O111 1 0.94903219 0.90109183 0.86166070 1.0 O O112 1 0.34232747 0.28748535 0.14224167 1.0 O O113 1 0.33771828 0.29033072 0.64705591 1.0 O O114 1 0.33646595 0.78607963 0.14225720 1.0 O O115 1 0.32949496 0.79406215 0.64119809 1.0 O O116 1 0.84652074 0.28883062 0.14317151 1.0 O O117 1 0.83218241 0.30564977 0.64762090 1.0 O O118 1 0.84216140 0.78263517 0.13986070 1.0 O O119 1 0.83259327 0.79876183 0.64360005 1.0 O O120 1 0.18254637 0.19863363 0.35026916 1.0 O O121 1 0.19223811 0.20727402 0.85989529 1.0 O O122 1 0.19323176 0.70487460 0.35271071 1.0 O O123 1 0.20355235 0.71443794 0.86118769 1.0 O O124 1 0.68420054 0.19448493 0.35300745 1.0 O O125 1 0.68525191 0.21031972 0.85705687 1.0 O O126 1 0.69495617 0.69787889 0.35257401 1.0 O O127 1 0.70802476 0.71014578 0.86265853 1.0 O O128 1 0.42605701 0.05432941 0.24042652 1.0 O O129 1 0.42533737 0.06277929 0.74406975 1.0 O O130 1 0.42602671 0.56924463 0.24714554 1.0 O O131 1 0.43311590 0.57474291 0.75976369 1.0 O O132 1 0.92569059 0.05624829 0.23888715 1.0 O O133 1 0.93620808 0.06194419 0.75089517 1.0 O O134 1 0.92661083 0.56993992 0.24817287 1.0 O O135 1 0.93325474 0.57314665 0.76125836 1.0 O O136 1 0.17433638 0.43340743 0.23956005 1.0 O O137 1 0.18370289 0.43927525 0.75240913 1.0 O O138 1 0.17523379 0.92694495 0.24775564 1.0 O O139 1 0.18377763 0.93470050 0.76067474 1.0 O O140 1 0.67406070 0.43070775 0.23778478 1.0 O O141 1 0.67771342 0.43403438 0.75939791 1.0 O O142 1 0.67836765 0.92835529 0.23883799 1.0 O O143 1 0.68798078 0.94302027 0.75301030 1.0