# generated using pymatgen data_Sr6Ca2Mn5Fe3O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.10778978 _cell_length_b 11.18915078 _cell_length_c 17.82484229 _cell_angle_alpha 108.23582104 _cell_angle_beta 108.29714733 _cell_angle_gamma 89.99357078 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr6Ca2Mn5Fe3O20 _chemical_formula_sum 'Sr24 Ca8 Mn20 Fe12 O80' _cell_volume 1985.88069404 _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 0.30807600 0.05932700 0.60967400 1.0 Sr Sr1 1 0.30790000 0.55805600 0.60985100 1.0 Sr Sr2 1 0.80835500 0.05881800 0.60992800 1.0 Sr Sr3 1 0.81054800 0.55830700 0.61053500 1.0 Sr Sr4 1 0.19637300 0.43983200 0.38854300 1.0 Sr Sr5 1 0.19934200 0.44235100 0.89358500 1.0 Sr Sr6 1 0.19663900 0.94143500 0.38841400 1.0 Sr Sr7 1 0.69859700 0.44123000 0.38880700 1.0 Sr Sr8 1 0.70108800 0.44297700 0.89313600 1.0 Sr Sr9 1 0.69904900 0.94087300 0.38968800 1.0 Sr Sr10 1 0.70006300 0.94124700 0.89251800 1.0 Sr Sr11 1 0.05833400 0.29941300 0.11017200 1.0 Sr Sr12 1 0.06080300 0.30191600 0.61041300 1.0 Sr Sr13 1 0.05885300 0.80065100 0.61095900 1.0 Sr Sr14 1 0.55738500 0.30083900 0.60869400 1.0 Sr Sr15 1 0.55655200 0.79939600 0.10959700 1.0 Sr Sr16 1 0.55791900 0.80087000 0.60873100 1.0 Sr Sr17 1 0.44769600 0.19742000 0.38768500 1.0 Sr Sr18 1 0.45081600 0.20030400 0.89286300 1.0 Sr Sr19 1 0.44710600 0.69782100 0.38829600 1.0 Sr Sr20 1 0.45046200 0.70156200 0.89382700 1.0 Sr Sr21 1 0.94828700 0.19694200 0.38653800 1.0 Sr Sr22 1 0.94856300 0.20016300 0.89251700 1.0 Sr Sr23 1 0.94716400 0.69647300 0.38696300 1.0 Ca Ca24 1 0.30437500 0.06133500 0.10411900 1.0 Ca Ca25 1 0.30490000 0.56280800 0.10552500 1.0 Ca Ca26 1 0.80400200 0.06116800 0.10327200 1.0 Ca Ca27 1 0.80465000 0.56210000 0.10444600 1.0 Ca Ca28 1 0.20270600 0.93850900 0.89774600 1.0 Ca Ca29 1 0.05688500 0.79162900 0.10338300 1.0 Ca Ca30 1 0.55656700 0.29260900 0.10507700 1.0 Ca Ca31 1 0.95337200 0.70824000 0.89777300 1.0 Mn Mn32 1 0.00368300 0.00004300 0.49979000 1.0 Mn Mn33 1 0.00283700 0.49949600 0.49902900 1.0 Mn Mn34 1 0.25666300 0.25060300 0.00308200 1.0 Mn Mn35 1 0.25235000 0.24929900 0.49890700 1.0 Mn Mn36 1 0.10496000 0.08904000 0.24230300 1.0 Mn Mn37 1 0.11375100 0.09412900 0.75545600 1.0 Mn Mn38 1 0.10913600 0.59853900 0.24645700 1.0 Mn Mn39 1 0.11089800 0.60452200 0.75614800 1.0 Mn Mn40 1 0.60787700 0.09803100 0.24672900 1.0 Mn Mn41 1 0.61363200 0.09690800 0.75137200 1.0 Mn Mn42 1 0.60708900 0.59147100 0.24566500 1.0 Mn Mn43 1 0.61506400 0.59850500 0.75159000 1.0 Mn Mn44 1 0.36293000 0.40257500 0.24672900 1.0 Mn Mn45 1 0.36288100 0.40628500 0.75449700 1.0 Mn Mn46 1 0.35401000 0.90090200 0.24491000 1.0 Mn Mn47 1 0.35988800 0.90359400 0.75303500 1.0 Mn Mn48 1 0.85414400 0.40063800 0.24293800 1.0 Mn Mn49 1 0.86374700 0.40730400 0.75302500 1.0 Mn Mn50 1 0.86010900 0.90108600 0.24474900 1.0 Mn Mn51 1 0.86676000 0.89843800 0.75203300 1.0 Fe Fe52 1 0.00697900 0.00036100 0.00244900 1.0 Fe Fe53 1 0.00622100 0.50245200 0.00304800 1.0 Fe Fe54 1 0.50535500 0.00212200 0.00281700 1.0 Fe Fe55 1 0.50258300 0.00037300 0.49943100 1.0 Fe Fe56 1 0.50660400 0.50090500 0.00485900 1.0 Fe Fe57 1 0.50285900 0.49903600 0.49838400 1.0 Fe Fe58 1 0.25460700 0.75162600 0.00206000 1.0 Fe Fe59 1 0.25113300 0.74964300 0.49926200 1.0 Fe Fe60 1 0.75611400 0.25218000 0.00418100 1.0 Fe Fe61 1 0.75410500 0.25014000 0.49925600 1.0 Fe Fe62 1 0.75803700 0.75191500 0.00388200 1.0 Fe Fe63 1 0.75396200 0.74933700 0.49983700 1.0 O O64 1 0.12483700 0.12310900 0.49463400 1.0 O O65 1 0.13014200 0.11998600 0.99194000 1.0 O O66 1 0.12322400 0.62179200 0.49538800 1.0 O O67 1 0.12237600 0.62468900 0.99252500 1.0 O O68 1 0.62577300 0.12378300 0.49529200 1.0 O O69 1 0.62499200 0.12497200 0.99712200 1.0 O O70 1 0.62579300 0.62356800 0.49536300 1.0 O O71 1 0.62810600 0.62271600 0.99619200 1.0 O O72 1 0.13742800 0.37955200 0.01037800 1.0 O O73 1 0.12982900 0.37634700 0.50390100 1.0 O O74 1 0.13388300 0.87882700 0.01005300 1.0 O O75 1 0.12759500 0.87777100 0.50403600 1.0 O O76 1 0.63416000 0.37972100 0.01358800 1.0 O O77 1 0.63080000 0.37644200 0.50465700 1.0 O O78 1 0.63587900 0.88129100 0.01039700 1.0 O O79 1 0.62932300 0.87607100 0.50269500 1.0 O O80 1 0.37373200 0.12398900 0.49490400 1.0 O O81 1 0.37337200 0.12197400 0.99510200 1.0 O O82 1 0.37367500 0.62135000 0.49489800 1.0 O O83 1 0.37481300 0.62014400 0.99700000 1.0 O O84 1 0.87731200 0.12150400 0.49584100 1.0 O O85 1 0.87625900 0.11962500 0.99444500 1.0 O O86 1 0.87644300 0.62118300 0.49516700 1.0 O O87 1 0.87938200 0.62421800 0.99390400 1.0 O O88 1 0.38452500 0.37972900 0.01437700 1.0 O O89 1 0.37762900 0.37503100 0.50262100 1.0 O O90 1 0.38037700 0.88603500 0.01037500 1.0 O O91 1 0.37807400 0.87782700 0.50309000 1.0 O O92 1 0.88213800 0.38534600 0.01109700 1.0 O O93 1 0.88094800 0.37744100 0.50245800 1.0 O O94 1 0.88683000 0.88085100 0.01199600 1.0 O O95 1 0.88031300 0.87849400 0.50326400 1.0 O O96 1 0.08496700 0.08637400 0.13259800 1.0 O O97 1 0.08084700 0.08288700 0.64307600 1.0 O O98 1 0.08328500 0.59194900 0.13411800 1.0 O O99 1 0.07271500 0.58437600 0.64213300 1.0 O O100 1 0.58002900 0.09176100 0.13540700 1.0 O O101 1 0.57447900 0.08114300 0.63547100 1.0 O O102 1 0.58062100 0.58769800 0.13531000 1.0 O O103 1 0.57420600 0.58093000 0.63615100 1.0 O O104 1 0.44159900 0.41961300 0.36414100 1.0 O O105 1 0.44108700 0.41757300 0.86884200 1.0 O O106 1 0.43396800 0.92291900 0.36135000 1.0 O O107 1 0.44204000 0.91796900 0.86738600 1.0 O O108 1 0.93264800 0.41849700 0.35675300 1.0 O O109 1 0.94027500 0.41298200 0.86551100 1.0 O O110 1 0.93776200 0.91911500 0.35812500 1.0 O O111 1 0.94599200 0.90883600 0.86670400 1.0 O O112 1 0.32637800 0.28800600 0.13333000 1.0 O O113 1 0.32620800 0.30709700 0.64181500 1.0 O O114 1 0.32499400 0.79087000 0.13471200 1.0 O O115 1 0.31950000 0.80536200 0.63654900 1.0 O O116 1 0.82730100 0.28739600 0.13322400 1.0 O O117 1 0.82999500 0.30969600 0.63749700 1.0 O O118 1 0.83028000 0.78914700 0.13427000 1.0 O O119 1 0.82580800 0.80374400 0.63510100 1.0 O O120 1 0.18103500 0.18683400 0.35590300 1.0 O O121 1 0.19307000 0.20358600 0.86856600 1.0 O O122 1 0.18164100 0.69469700 0.36356600 1.0 O O123 1 0.19477700 0.70894700 0.86938700 1.0 O O124 1 0.68467800 0.19339900 0.36297000 1.0 O O125 1 0.68932800 0.19868700 0.86631400 1.0 O O126 1 0.68647000 0.69004000 0.36183700 1.0 O O127 1 0.69559500 0.69862100 0.86551800 1.0 O O128 1 0.43144400 0.06149700 0.23928700 1.0 O O129 1 0.43957100 0.06254600 0.75146700 1.0 O O130 1 0.43034200 0.56837600 0.24027900 1.0 O O131 1 0.44470500 0.56680900 0.75312000 1.0 O O132 1 0.92997400 0.06493400 0.23795300 1.0 O O133 1 0.93977800 0.06494100 0.75217400 1.0 O O134 1 0.92829100 0.56161000 0.23822800 1.0 O O135 1 0.94005500 0.57824600 0.76065200 1.0 O O136 1 0.18888600 0.44032600 0.24846300 1.0 O O137 1 0.19182300 0.44244900 0.75368600 1.0 O O138 1 0.17856000 0.92200200 0.23995700 1.0 O O139 1 0.18811300 0.93113400 0.76026900 1.0 O O140 1 0.67707100 0.42277600 0.24048200 1.0 O O141 1 0.69140800 0.43433700 0.75088100 1.0 O O142 1 0.69062700 0.93788200 0.24793400 1.0 O O143 1 0.69341800 0.93588300 0.75164500 1.0