# generated using pymatgen data_Ca7MgFeCo7O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.62710276 _cell_length_b 11.08647847 _cell_length_c 16.82486904 _cell_angle_alpha 109.12287088 _cell_angle_beta 108.83278392 _cell_angle_gamma 90.09839120 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca7MgFeCo7O20 _chemical_formula_sum 'Ca28 Mg4 Fe4 Co28 O80' _cell_volume 1759.76153662 _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 Ca Ca0 1 0.30722520 0.06625700 0.60609336 1.0 Ca Ca1 1 0.29941080 0.56822650 0.60682087 1.0 Ca Ca2 1 0.80577668 0.06284140 0.60732665 1.0 Ca Ca3 1 0.80790554 0.56300466 0.11011356 1.0 Ca Ca4 1 0.80190881 0.56469380 0.60742121 1.0 Ca Ca5 1 0.19047278 0.43022752 0.38844977 1.0 Ca Ca6 1 0.20186332 0.43691852 0.89817478 1.0 Ca Ca7 1 0.19666986 0.93800742 0.38556952 1.0 Ca Ca8 1 0.19384350 0.93722782 0.89507002 1.0 Ca Ca9 1 0.69778885 0.43097345 0.39015289 1.0 Ca Ca10 1 0.70094707 0.43209463 0.89448180 1.0 Ca Ca11 1 0.69658651 0.93579402 0.38979725 1.0 Ca Ca12 1 0.69382730 0.93743220 0.89305277 1.0 Ca Ca13 1 0.05380105 0.29587634 0.11187061 1.0 Ca Ca14 1 0.05191950 0.28994826 0.60510706 1.0 Ca Ca15 1 0.05015472 0.79219224 0.60789369 1.0 Ca Ca16 1 0.55833325 0.29392914 0.11133604 1.0 Ca Ca17 1 0.55547502 0.28941447 0.60621931 1.0 Ca Ca18 1 0.55384369 0.78783079 0.11055023 1.0 Ca Ca19 1 0.55427333 0.79408467 0.60757683 1.0 Ca Ca20 1 0.44583218 0.19815169 0.38423351 1.0 Ca Ca21 1 0.45086243 0.20865798 0.89381023 1.0 Ca Ca22 1 0.44375292 0.70808017 0.38523992 1.0 Ca Ca23 1 0.44088657 0.71009148 0.89204393 1.0 Ca Ca24 1 0.94684236 0.20148999 0.38721536 1.0 Ca Ca25 1 0.94410896 0.20524327 0.89062886 1.0 Ca Ca26 1 0.94350098 0.70724335 0.38902696 1.0 Ca Ca27 1 0.94649143 0.71012170 0.89500759 1.0 Mg Mg28 1 0.28747655 0.07556870 0.11611255 1.0 Mg Mg29 1 0.28095577 0.57791711 0.11909223 1.0 Mg Mg30 1 0.78331372 0.08072642 0.11477673 1.0 Mg Mg31 1 0.02978525 0.78553070 0.11588558 1.0 Fe Fe32 1 0.10362578 0.59218247 0.75168048 1.0 Fe Fe33 1 0.60923405 0.59335653 0.75147107 1.0 Fe Fe34 1 0.35722142 0.40844341 0.75130301 1.0 Fe Fe35 1 0.35660891 0.91025020 0.75092747 1.0 Co Co36 1 0.00949008 0.00344410 0.00949873 1.0 Co Co37 1 0.00506460 0.99973985 0.49829306 1.0 Co Co38 1 0.01112538 0.50414126 0.00505102 1.0 Co Co39 1 0.00330402 0.49996032 0.49938319 1.0 Co Co40 1 0.50764294 0.00250922 0.00494239 1.0 Co Co41 1 0.50433794 0.99938284 0.49746877 1.0 Co Co42 1 0.50897575 0.50032556 0.00265206 1.0 Co Co43 1 0.50326888 0.49801767 0.49709752 1.0 Co Co44 1 0.26007842 0.25491788 0.00690468 1.0 Co Co45 1 0.25496272 0.24929609 0.49908392 1.0 Co Co46 1 0.26019282 0.75129712 0.00689643 1.0 Co Co47 1 0.25409295 0.75041023 0.49840274 1.0 Co Co48 1 0.75995795 0.25018201 0.00383772 1.0 Co Co49 1 0.75348855 0.24820080 0.49780584 1.0 Co Co50 1 0.75935642 0.75346870 0.00364483 1.0 Co Co51 1 0.75177778 0.74832355 0.49644786 1.0 Co Co52 1 0.09974525 0.08707190 0.24168162 1.0 Co Co53 1 0.10877285 0.09728836 0.75187553 1.0 Co Co54 1 0.11066352 0.59870557 0.24940894 1.0 Co Co55 1 0.60163127 0.09103717 0.24496126 1.0 Co Co56 1 0.61163736 0.09518733 0.74995092 1.0 Co Co57 1 0.60247619 0.59267032 0.24459139 1.0 Co Co58 1 0.35719977 0.40132010 0.24548703 1.0 Co Co59 1 0.34681755 0.89603983 0.23877983 1.0 Co Co60 1 0.85835883 0.40116331 0.24939813 1.0 Co Co61 1 0.86020937 0.40278035 0.75211019 1.0 Co Co62 1 0.85720961 0.90843287 0.24610254 1.0 Co Co63 1 0.85875760 0.90389864 0.75161977 1.0 O O64 1 0.12473089 0.11577333 0.48561201 1.0 O O65 1 0.12611104 0.13301294 0.98915444 1.0 O O66 1 0.11913759 0.61546302 0.48157310 1.0 O O67 1 0.12778378 0.62961533 0.98997685 1.0 O O68 1 0.62306224 0.11510470 0.48360845 1.0 O O69 1 0.62574041 0.12268669 0.98803248 1.0 O O70 1 0.61699834 0.61245664 0.48314110 1.0 O O71 1 0.62897884 0.63175147 0.98848987 1.0 O O72 1 0.15521005 0.40686344 0.03224364 1.0 O O73 1 0.13500049 0.37713156 0.51252931 1.0 O O74 1 0.14491658 0.90002638 0.02366756 1.0 O O75 1 0.13609774 0.87344960 0.50999487 1.0 O O76 1 0.64058460 0.38329474 0.01568336 1.0 O O77 1 0.63430630 0.37563599 0.51349553 1.0 O O78 1 0.64474227 0.89755215 0.02443452 1.0 O O79 1 0.63078371 0.87440088 0.50822234 1.0 O O80 1 0.37368748 0.11976825 0.48285531 1.0 O O81 1 0.37783385 0.10853124 0.98940338 1.0 O O82 1 0.36598538 0.62201152 0.48129547 1.0 O O83 1 0.37596773 0.61193674 0.98273734 1.0 O O84 1 0.87318511 0.11965426 0.48364861 1.0 O O85 1 0.87857139 0.10944932 0.99442114 1.0 O O86 1 0.86954579 0.61866085 0.48356544 1.0 O O87 1 0.87835763 0.61407503 0.98862798 1.0 O O88 1 0.38818001 0.37472629 0.01608075 1.0 O O89 1 0.38217167 0.38738190 0.50691768 1.0 O O90 1 0.38638401 0.88191195 0.02207824 1.0 O O91 1 0.38502526 0.88613499 0.51153900 1.0 O O92 1 0.89398478 0.38132848 0.01740752 1.0 O O93 1 0.88220952 0.38419323 0.51223757 1.0 O O94 1 0.89884814 0.87637844 0.02810989 1.0 O O95 1 0.88358824 0.88421540 0.51016477 1.0 O O96 1 0.11138656 0.11384571 0.14380138 1.0 O O97 1 0.08792129 0.10343567 0.64265276 1.0 O O98 1 0.09624615 0.62331450 0.14429909 1.0 O O99 1 0.08836307 0.60611137 0.64134381 1.0 O O100 1 0.60789396 0.11089872 0.14384850 1.0 O O101 1 0.58990900 0.10136984 0.64075894 1.0 O O102 1 0.60159300 0.60129695 0.13952386 1.0 O O103 1 0.58709495 0.60375872 0.63879844 1.0 O O104 1 0.44345964 0.39302126 0.35494616 1.0 O O105 1 0.45243416 0.39562541 0.86221100 1.0 O O106 1 0.43297904 0.89947144 0.35121812 1.0 O O107 1 0.45177918 0.89559109 0.86253918 1.0 O O108 1 0.94257595 0.39175971 0.35781049 1.0 O O109 1 0.95122279 0.39565039 0.86158654 1.0 O O110 1 0.94556652 0.90043804 0.35526273 1.0 O O111 1 0.94742420 0.89919478 0.86300913 1.0 O O112 1 0.34350729 0.26882106 0.14250364 1.0 O O113 1 0.34337001 0.28650207 0.64124210 1.0 O O114 1 0.34829663 0.76262890 0.14116473 1.0 O O115 1 0.33866708 0.78640158 0.63915663 1.0 O O116 1 0.83901956 0.27510679 0.14308742 1.0 O O117 1 0.83917006 0.28728275 0.64371309 1.0 O O118 1 0.85193583 0.78053904 0.14443521 1.0 O O119 1 0.83548874 0.78875593 0.64156238 1.0 O O120 1 0.18327938 0.20169311 0.35309599 1.0 O O121 1 0.19703360 0.21461232 0.86202048 1.0 O O122 1 0.19602459 0.71783091 0.35666780 1.0 O O123 1 0.19737335 0.71894622 0.86233223 1.0 O O124 1 0.68165674 0.20788977 0.35507939 1.0 O O125 1 0.70279317 0.21038790 0.85982121 1.0 O O126 1 0.68433877 0.71174500 0.35364336 1.0 O O127 1 0.70453523 0.72004126 0.86301878 1.0 O O128 1 0.41136717 0.05651731 0.23180609 1.0 O O129 1 0.42749289 0.07026503 0.75083034 1.0 O O130 1 0.41289142 0.56035384 0.23419038 1.0 O O131 1 0.42530839 0.57077902 0.75113036 1.0 O O132 1 0.91110769 0.06662319 0.23302678 1.0 O O133 1 0.92578006 0.06696490 0.75098103 1.0 O O134 1 0.93067090 0.56176180 0.24918650 1.0 O O135 1 0.92196301 0.56940552 0.75189111 1.0 O O136 1 0.17802622 0.43701401 0.24922679 1.0 O O137 1 0.17501715 0.43116023 0.75174206 1.0 O O138 1 0.15821172 0.91805100 0.23174469 1.0 O O139 1 0.17525605 0.93271333 0.75177522 1.0 O O140 1 0.67717031 0.43456546 0.24999520 1.0 O O141 1 0.67550695 0.43180684 0.75184765 1.0 O O142 1 0.67552746 0.93242482 0.24762771 1.0 O O143 1 0.67552983 0.93180585 0.75098245 1.0