# generated using pymatgen data_Sr2Ca6Mn7FeO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.96801270 _cell_length_b 11.16127312 _cell_length_c 17.29634795 _cell_angle_alpha 108.73664956 _cell_angle_beta 108.34476525 _cell_angle_gamma 90.11975375 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ca6Mn7FeO20 _chemical_formula_sum 'Sr8 Ca24 Mn28 Fe4 O80' _cell_volume 1890.67208054 _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 0.30829800 0.56047000 0.60945500 1.0 Sr Sr1 1 0.80682400 0.05996900 0.60954800 1.0 Sr Sr2 1 0.19907300 0.44073400 0.89177800 1.0 Sr Sr3 1 0.05781800 0.29793700 0.60841400 1.0 Sr Sr4 1 0.05855200 0.80025700 0.60952200 1.0 Sr Sr5 1 0.55887600 0.29941200 0.61038300 1.0 Sr Sr6 1 0.44894400 0.20056300 0.88983900 1.0 Sr Sr7 1 0.94571400 0.19991800 0.38665200 1.0 Ca Ca8 1 0.30579600 0.06448400 0.10874700 1.0 Ca Ca9 1 0.30748400 0.05970000 0.60376600 1.0 Ca Ca10 1 0.30568400 0.56556700 0.10924300 1.0 Ca Ca11 1 0.80362900 0.06207700 0.10515400 1.0 Ca Ca12 1 0.80681400 0.56326000 0.10801800 1.0 Ca Ca13 1 0.80685600 0.56157800 0.60601700 1.0 Ca Ca14 1 0.19901000 0.43656500 0.39215900 1.0 Ca Ca15 1 0.19940100 0.93530000 0.39152000 1.0 Ca Ca16 1 0.19915500 0.93836200 0.89566100 1.0 Ca Ca17 1 0.69861700 0.43680100 0.39250800 1.0 Ca Ca18 1 0.70126300 0.43734600 0.89521100 1.0 Ca Ca19 1 0.69892300 0.93550400 0.39209800 1.0 Ca Ca20 1 0.69946600 0.93673900 0.89345100 1.0 Ca Ca21 1 0.05760100 0.29374300 0.10875000 1.0 Ca Ca22 1 0.05618700 0.79278200 0.10788800 1.0 Ca Ca23 1 0.55801000 0.29388500 0.10918900 1.0 Ca Ca24 1 0.55646600 0.79332500 0.10801100 1.0 Ca Ca25 1 0.55766000 0.79422900 0.60570400 1.0 Ca Ca26 1 0.45049500 0.20566200 0.39170200 1.0 Ca Ca27 1 0.44895600 0.70648800 0.39261800 1.0 Ca Ca28 1 0.45097700 0.70829500 0.89510800 1.0 Ca Ca29 1 0.95075400 0.20722600 0.89464000 1.0 Ca Ca30 1 0.94936900 0.70504500 0.39169900 1.0 Ca Ca31 1 0.94830600 0.70740400 0.89422600 1.0 Mn Mn32 1 0.00442200 0.99810600 0.49760900 1.0 Mn Mn33 1 0.00292200 0.50016100 0.49697400 1.0 Mn Mn34 1 0.50410500 0.99868600 0.49760700 1.0 Mn Mn35 1 0.50727100 0.50110400 0.00214400 1.0 Mn Mn36 1 0.50437900 0.49934600 0.49723900 1.0 Mn Mn37 1 0.25683800 0.25153600 0.00288100 1.0 Mn Mn38 1 0.25435200 0.24720000 0.49676700 1.0 Mn Mn39 1 0.25646200 0.75267900 0.00188100 1.0 Mn Mn40 1 0.25501800 0.74986500 0.49690600 1.0 Mn Mn41 1 0.75725100 0.25080700 0.00098600 1.0 Mn Mn42 1 0.75292900 0.25011300 0.49788300 1.0 Mn Mn43 1 0.75278600 0.74748100 0.49669500 1.0 Mn Mn44 1 0.11174600 0.09411200 0.24736100 1.0 Mn Mn45 1 0.11167000 0.09281700 0.75294000 1.0 Mn Mn46 1 0.11084200 0.59608400 0.25006700 1.0 Mn Mn47 1 0.10824200 0.60097600 0.75125500 1.0 Mn Mn48 1 0.60755300 0.09610100 0.24977100 1.0 Mn Mn49 1 0.61102200 0.09245700 0.74931600 1.0 Mn Mn50 1 0.60836300 0.59490200 0.24962900 1.0 Mn Mn51 1 0.61523500 0.60327400 0.75277300 1.0 Mn Mn52 1 0.35793800 0.40527200 0.25069200 1.0 Mn Mn53 1 0.36740300 0.40617000 0.75165700 1.0 Mn Mn54 1 0.35865200 0.90332500 0.25005100 1.0 Mn Mn55 1 0.36466900 0.90160800 0.74976900 1.0 Mn Mn56 1 0.85713700 0.40674300 0.24820400 1.0 Mn Mn57 1 0.86088100 0.40735700 0.75253600 1.0 Mn Mn58 1 0.85790400 0.89910800 0.24761200 1.0 Mn Mn59 1 0.85836300 0.89938200 0.75154500 1.0 Fe Fe60 1 0.00578500 0.00023800 0.00061400 1.0 Fe Fe61 1 0.00639400 0.50083200 0.00222500 1.0 Fe Fe62 1 0.50679000 0.00144700 0.00286600 1.0 Fe Fe63 1 0.75572900 0.74962100 0.00092100 1.0 O O64 1 0.12734300 0.11782400 0.49006200 1.0 O O65 1 0.12549700 0.12291200 0.99004600 1.0 O O66 1 0.12276800 0.62126700 0.48559200 1.0 O O67 1 0.12508300 0.62816100 0.99144000 1.0 O O68 1 0.61994700 0.11790400 0.48417300 1.0 O O69 1 0.63082400 0.12159100 0.99181800 1.0 O O70 1 0.62310000 0.61933700 0.48799200 1.0 O O71 1 0.62341400 0.61832600 0.98993700 1.0 O O72 1 0.13861900 0.37858200 0.01540400 1.0 O O73 1 0.13172600 0.37735100 0.50334100 1.0 O O74 1 0.13745300 0.88115800 0.01257200 1.0 O O75 1 0.13532500 0.87921600 0.50555200 1.0 O O76 1 0.64112200 0.37897900 0.01493500 1.0 O O77 1 0.63447800 0.38105500 0.50714200 1.0 O O78 1 0.63404700 0.87789400 0.01284900 1.0 O O79 1 0.62980600 0.87306600 0.50576800 1.0 O O80 1 0.37109800 0.11503100 0.48530800 1.0 O O81 1 0.37273600 0.12021400 0.99329900 1.0 O O82 1 0.37449300 0.61978800 0.48710400 1.0 O O83 1 0.37688800 0.62725000 0.99356600 1.0 O O84 1 0.87104800 0.11608800 0.48866800 1.0 O O85 1 0.87462700 0.11935500 0.98890900 1.0 O O86 1 0.87100600 0.61747100 0.48671000 1.0 O O87 1 0.87231900 0.61578500 0.98770800 1.0 O O88 1 0.38834600 0.38561300 0.01706100 1.0 O O89 1 0.38191400 0.37772500 0.50288300 1.0 O O90 1 0.38368700 0.88219200 0.01251200 1.0 O O91 1 0.38565100 0.88094900 0.51034800 1.0 O O92 1 0.88610400 0.37967300 0.01369900 1.0 O O93 1 0.87907700 0.38340400 0.50681200 1.0 O O94 1 0.88670600 0.88352300 0.01394300 1.0 O O95 1 0.88022800 0.87569000 0.50268900 1.0 O O96 1 0.08477300 0.09519900 0.13407000 1.0 O O97 1 0.07569700 0.07889000 0.63410400 1.0 O O98 1 0.08165100 0.59623200 0.13189000 1.0 O O99 1 0.07154900 0.58547100 0.63309600 1.0 O O100 1 0.58088900 0.09605000 0.13298300 1.0 O O101 1 0.57509300 0.08421500 0.62914700 1.0 O O102 1 0.58019400 0.59429700 0.13422400 1.0 O O103 1 0.57669800 0.58921500 0.63332100 1.0 O O104 1 0.44501100 0.40874100 0.36534400 1.0 O O105 1 0.44787800 0.41252600 0.87023800 1.0 O O106 1 0.44332600 0.90584000 0.36505900 1.0 O O107 1 0.45130500 0.91061000 0.86738300 1.0 O O108 1 0.94246000 0.41380700 0.36230800 1.0 O O109 1 0.94815900 0.40424800 0.86894300 1.0 O O110 1 0.94449900 0.90990900 0.36389400 1.0 O O111 1 0.94622300 0.90467300 0.86736200 1.0 O O112 1 0.32947700 0.29143700 0.13744700 1.0 O O113 1 0.32563600 0.29312000 0.63144400 1.0 O O114 1 0.32999700 0.79220300 0.13471400 1.0 O O115 1 0.32445600 0.79514100 0.63096000 1.0 O O116 1 0.82995000 0.29047800 0.13383900 1.0 O O117 1 0.82046000 0.29851400 0.63174500 1.0 O O118 1 0.82804600 0.78535500 0.13407400 1.0 O O119 1 0.82175200 0.79376100 0.63239200 1.0 O O120 1 0.19107900 0.20487000 0.36331900 1.0 O O121 1 0.19382500 0.20590200 0.86715200 1.0 O O122 1 0.19934400 0.71279900 0.36914200 1.0 O O123 1 0.19649800 0.71098300 0.86839400 1.0 O O124 1 0.69018000 0.21123500 0.36771400 1.0 O O125 1 0.69586600 0.21192100 0.86920600 1.0 O O126 1 0.69233500 0.70721800 0.36534100 1.0 O O127 1 0.69881500 0.71430100 0.86735800 1.0 O O128 1 0.42230100 0.07017300 0.24982200 1.0 O O129 1 0.42418200 0.06435000 0.74247900 1.0 O O130 1 0.42570400 0.57294600 0.25005000 1.0 O O131 1 0.43853300 0.57878200 0.75771100 1.0 O O132 1 0.92904300 0.06076400 0.24026300 1.0 O O133 1 0.93286500 0.06894500 0.75750000 1.0 O O134 1 0.92272600 0.57162200 0.24937200 1.0 O O135 1 0.92687100 0.57910200 0.75153900 1.0 O O136 1 0.17752100 0.42237800 0.25024200 1.0 O O137 1 0.18602700 0.44168300 0.75003600 1.0 O O138 1 0.17554600 0.92417000 0.24906400 1.0 O O139 1 0.18607600 0.93145400 0.75891800 1.0 O O140 1 0.67412300 0.42491000 0.24973300 1.0 O O141 1 0.68236200 0.43917000 0.75898500 1.0 O O142 1 0.67947900 0.92551300 0.25020200 1.0 O O143 1 0.67701500 0.92096800 0.75058000 1.0