# generated using pymatgen data_Sr2Ca2Mn3FeO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.00055774 _cell_length_b 11.10752520 _cell_length_c 17.70865457 _cell_angle_alpha 108.29452272 _cell_angle_beta 108.19119350 _cell_angle_gamma 90.00578108 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ca2Mn3FeO10 _chemical_formula_sum 'Sr16 Ca16 Mn24 Fe8 O80' _cell_volume 1940.17672462 _cell_formula_units_Z 8 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 0.30995900 0.55907400 0.61146900 1.0 Sr Sr1 1 0.80784000 0.05692900 0.60935600 1.0 Sr Sr2 1 0.81065400 0.55820000 0.61118800 1.0 Sr Sr3 1 0.19604500 0.43984100 0.38602300 1.0 Sr Sr4 1 0.20035200 0.44364600 0.89344800 1.0 Sr Sr5 1 0.69707200 0.44010600 0.38601100 1.0 Sr Sr6 1 0.69873200 0.93841800 0.38631600 1.0 Sr Sr7 1 0.70074700 0.94186100 0.89287100 1.0 Sr Sr8 1 0.06037800 0.30069300 0.61051900 1.0 Sr Sr9 1 0.06015500 0.80286000 0.61052200 1.0 Sr Sr10 1 0.55930600 0.30305500 0.61078000 1.0 Sr Sr11 1 0.55934900 0.80148000 0.61029000 1.0 Sr Sr12 1 0.44630300 0.19680100 0.38654300 1.0 Sr Sr13 1 0.45178400 0.19972000 0.89125700 1.0 Sr Sr14 1 0.94705900 0.19500000 0.38608000 1.0 Sr Sr15 1 0.94867500 0.20026300 0.89217200 1.0 Ca Ca16 1 0.30429800 0.06182400 0.10544000 1.0 Ca Ca17 1 0.30601400 0.05878400 0.60473600 1.0 Ca Ca18 1 0.30630700 0.56522400 0.10710700 1.0 Ca Ca19 1 0.80318600 0.06293000 0.10482900 1.0 Ca Ca20 1 0.80687000 0.56264600 0.10643100 1.0 Ca Ca21 1 0.19987500 0.93627900 0.39194900 1.0 Ca Ca22 1 0.20276200 0.93761700 0.89787400 1.0 Ca Ca23 1 0.70335900 0.44093500 0.89866900 1.0 Ca Ca24 1 0.05325700 0.29217200 0.10564900 1.0 Ca Ca25 1 0.05571200 0.79238800 0.10620500 1.0 Ca Ca26 1 0.55397600 0.29203300 0.10409200 1.0 Ca Ca27 1 0.55481100 0.79179900 0.10406700 1.0 Ca Ca28 1 0.44871800 0.70307000 0.39237300 1.0 Ca Ca29 1 0.45052400 0.70793800 0.89727500 1.0 Ca Ca30 1 0.95016400 0.70489600 0.39190000 1.0 Ca Ca31 1 0.95141300 0.70883700 0.89865500 1.0 Mn Mn32 1 0.00453600 0.99881900 0.49838500 1.0 Mn Mn33 1 0.00192100 0.49927900 0.49749000 1.0 Mn Mn34 1 0.50179300 0.49889700 0.49714900 1.0 Mn Mn35 1 0.25744900 0.25155400 0.00341900 1.0 Mn Mn36 1 0.25232100 0.24806900 0.49777200 1.0 Mn Mn37 1 0.25228100 0.74883700 0.49758600 1.0 Mn Mn38 1 0.75288400 0.24954600 0.49864600 1.0 Mn Mn39 1 0.75258100 0.74716800 0.49674200 1.0 Mn Mn40 1 0.10616900 0.08848500 0.24439800 1.0 Mn Mn41 1 0.11851500 0.09436200 0.75628300 1.0 Mn Mn42 1 0.10557500 0.59982100 0.24545600 1.0 Mn Mn43 1 0.11412500 0.60457600 0.75582100 1.0 Mn Mn44 1 0.60443900 0.08869800 0.24248700 1.0 Mn Mn45 1 0.60865900 0.10066700 0.74978200 1.0 Mn Mn46 1 0.60524400 0.59464200 0.24452100 1.0 Mn Mn47 1 0.61324800 0.59780400 0.75745900 1.0 Mn Mn48 1 0.35317900 0.40718800 0.24270900 1.0 Mn Mn49 1 0.36593600 0.40594300 0.75503800 1.0 Mn Mn50 1 0.35338500 0.89709200 0.24702700 1.0 Mn Mn51 1 0.36035000 0.90356600 0.75344700 1.0 Mn Mn52 1 0.85581600 0.40644100 0.24474200 1.0 Mn Mn53 1 0.86069800 0.41186500 0.75775600 1.0 Mn Mn54 1 0.85896700 0.89501600 0.24285400 1.0 Mn Mn55 1 0.86797300 0.90137400 0.75362500 1.0 Fe Fe56 1 0.00870900 0.00106900 0.00362400 1.0 Fe Fe57 1 0.00689900 0.50162800 0.00298900 1.0 Fe Fe58 1 0.50660800 0.00126400 0.00322200 1.0 Fe Fe59 1 0.50181100 0.99892500 0.49816700 1.0 Fe Fe60 1 0.50705900 0.50177600 0.00301700 1.0 Fe Fe61 1 0.25704500 0.75244900 0.00325600 1.0 Fe Fe62 1 0.75769000 0.25367700 0.00482600 1.0 Fe Fe63 1 0.75721900 0.75013700 0.00192200 1.0 O O64 1 0.12828200 0.11855000 0.49435000 1.0 O O65 1 0.13166700 0.12363000 0.99544000 1.0 O O66 1 0.12147900 0.62406800 0.48981600 1.0 O O67 1 0.12508200 0.62532300 0.99383500 1.0 O O68 1 0.62525100 0.12318800 0.49490600 1.0 O O69 1 0.62812600 0.12569700 0.99778500 1.0 O O70 1 0.62081000 0.62208100 0.49081100 1.0 O O71 1 0.62519800 0.62073500 0.99010100 1.0 O O72 1 0.13901400 0.37983200 0.01578700 1.0 O O73 1 0.13034300 0.37504100 0.50343900 1.0 O O74 1 0.13682700 0.88009400 0.01160300 1.0 O O75 1 0.13045500 0.87656400 0.49962800 1.0 O O76 1 0.63756300 0.38327500 0.01517400 1.0 O O77 1 0.62786100 0.37593100 0.50101100 1.0 O O78 1 0.63473600 0.87803700 0.01320500 1.0 O O79 1 0.62621100 0.87118500 0.49856800 1.0 O O80 1 0.37092500 0.11819400 0.49289200 1.0 O O81 1 0.37333600 0.12088100 0.99404200 1.0 O O82 1 0.37565500 0.62269900 0.49208900 1.0 O O83 1 0.37924400 0.62439100 0.99531200 1.0 O O84 1 0.87710900 0.12183500 0.49675900 1.0 O O85 1 0.87936500 0.12222200 0.99630600 1.0 O O86 1 0.87452600 0.62306200 0.49232300 1.0 O O87 1 0.87556400 0.61872400 0.99032100 1.0 O O88 1 0.38466800 0.38200900 0.01356200 1.0 O O89 1 0.37898500 0.37661200 0.50201600 1.0 O O90 1 0.38582600 0.88427900 0.01360700 1.0 O O91 1 0.37723500 0.87751300 0.50292300 1.0 O O92 1 0.88468900 0.38430200 0.01217000 1.0 O O93 1 0.87769200 0.37521900 0.50174300 1.0 O O94 1 0.88922000 0.88276600 0.01497900 1.0 O O95 1 0.88074400 0.87448700 0.50040000 1.0 O O96 1 0.09087200 0.09290500 0.13551500 1.0 O O97 1 0.08818000 0.07790800 0.64210700 1.0 O O98 1 0.07800800 0.59484800 0.13338300 1.0 O O99 1 0.07095300 0.58257500 0.64007400 1.0 O O100 1 0.58085500 0.09502400 0.13382600 1.0 O O101 1 0.57260600 0.07727600 0.63232800 1.0 O O102 1 0.57715700 0.59537400 0.13349100 1.0 O O103 1 0.57550400 0.57893100 0.64227300 1.0 O O104 1 0.42891700 0.41594000 0.35485600 1.0 O O105 1 0.44406900 0.41439000 0.86896900 1.0 O O106 1 0.43473100 0.91632500 0.36325800 1.0 O O107 1 0.44675200 0.91482500 0.86892000 1.0 O O108 1 0.93026000 0.41689100 0.35757900 1.0 O O109 1 0.94608400 0.41366000 0.86936100 1.0 O O110 1 0.93722200 0.91446100 0.35764800 1.0 O O111 1 0.95024200 0.91148700 0.86966000 1.0 O O112 1 0.33292800 0.29327400 0.13190000 1.0 O O113 1 0.32992300 0.30456400 0.64094200 1.0 O O114 1 0.32660200 0.79019100 0.13570100 1.0 O O115 1 0.31960900 0.80377000 0.63883000 1.0 O O116 1 0.83856900 0.29379200 0.13546500 1.0 O O117 1 0.82485700 0.31545400 0.64291300 1.0 O O118 1 0.83384400 0.78453900 0.13243700 1.0 O O119 1 0.82363700 0.80645100 0.63732300 1.0 O O120 1 0.18085600 0.18897800 0.35811400 1.0 O O121 1 0.19435900 0.20482700 0.87201900 1.0 O O122 1 0.19008500 0.69693900 0.35882700 1.0 O O123 1 0.20338600 0.70883600 0.86932000 1.0 O O124 1 0.68208300 0.18384400 0.35725600 1.0 O O125 1 0.68571900 0.20636600 0.86625000 1.0 O O126 1 0.69022700 0.68778900 0.35804600 1.0 O O127 1 0.70268700 0.70578600 0.86855200 1.0 O O128 1 0.42749500 0.05910900 0.23960600 1.0 O O129 1 0.42719100 0.06651600 0.74442500 1.0 O O130 1 0.42826900 0.57766400 0.24698000 1.0 O O131 1 0.43962800 0.57982000 0.76114900 1.0 O O132 1 0.92814500 0.06173900 0.23762300 1.0 O O133 1 0.94173100 0.06715400 0.75167400 1.0 O O134 1 0.92951200 0.57706100 0.24760700 1.0 O O135 1 0.94083800 0.57903000 0.76258100 1.0 O O136 1 0.17604100 0.42855500 0.23866300 1.0 O O137 1 0.19176100 0.43929100 0.75300700 1.0 O O138 1 0.17705000 0.91886200 0.24705500 1.0 O O139 1 0.18680600 0.92731400 0.76152000 1.0 O O140 1 0.67613000 0.42511800 0.23749500 1.0 O O141 1 0.68563300 0.43030300 0.76133500 1.0 O O142 1 0.68123400 0.92208700 0.23812300 1.0 O O143 1 0.69232400 0.94177500 0.75339500 1.0