# generated using pymatgen data_Sr7CaMn3(FeO4)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.18364124 _cell_length_b 11.34219097 _cell_length_c 17.75902852 _cell_angle_alpha 108.64314243 _cell_angle_beta 108.53996457 _cell_angle_gamma 89.79454188 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr7CaMn3(FeO4)5 _chemical_formula_sum 'Sr28 Ca4 Mn12 Fe20 O80' _cell_volume 2011.60987263 _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 0.30699500 0.05930800 0.60809300 1.0 Sr Sr1 1 0.30734200 0.55923000 0.60822500 1.0 Sr Sr2 1 0.80722400 0.05952800 0.60823600 1.0 Sr Sr3 1 0.80561500 0.56399100 0.10875500 1.0 Sr Sr4 1 0.80712100 0.55919400 0.60845300 1.0 Sr Sr5 1 0.19657200 0.43604500 0.39013500 1.0 Sr Sr6 1 0.19897700 0.44172500 0.89275800 1.0 Sr Sr7 1 0.19806200 0.93807400 0.38941600 1.0 Sr Sr8 1 0.19914600 0.94107400 0.89276400 1.0 Sr Sr9 1 0.69828200 0.43826700 0.39164900 1.0 Sr Sr10 1 0.69949100 0.44178800 0.89251800 1.0 Sr Sr11 1 0.69790000 0.93969800 0.39023700 1.0 Sr Sr12 1 0.69982000 0.94075400 0.89293500 1.0 Sr Sr13 1 0.05718900 0.29521200 0.10991400 1.0 Sr Sr14 1 0.05681900 0.29857000 0.60786200 1.0 Sr Sr15 1 0.05743000 0.79928500 0.60843300 1.0 Sr Sr16 1 0.55664100 0.29571400 0.10892800 1.0 Sr Sr17 1 0.55728300 0.29888700 0.60807800 1.0 Sr Sr18 1 0.55722000 0.79991800 0.11012800 1.0 Sr Sr19 1 0.55717400 0.79917000 0.60810000 1.0 Sr Sr20 1 0.44613800 0.19962100 0.38853000 1.0 Sr Sr21 1 0.44853900 0.20087200 0.89245200 1.0 Sr Sr22 1 0.44532400 0.70051300 0.38837100 1.0 Sr Sr23 1 0.44893300 0.70188300 0.89268300 1.0 Sr Sr24 1 0.94695800 0.19854800 0.38778400 1.0 Sr Sr25 1 0.94964100 0.20083100 0.89276800 1.0 Sr Sr26 1 0.94657800 0.70347600 0.39055100 1.0 Sr Sr27 1 0.94962400 0.70232000 0.89298100 1.0 Ca Ca28 1 0.30259800 0.06269000 0.10522000 1.0 Ca Ca29 1 0.30352700 0.56413700 0.10536600 1.0 Ca Ca30 1 0.80630300 0.06234100 0.10635100 1.0 Ca Ca31 1 0.05733700 0.79069400 0.10572500 1.0 Mn Mn32 1 0.11129600 0.09746000 0.75080000 1.0 Mn Mn33 1 0.11088300 0.59745400 0.75072700 1.0 Mn Mn34 1 0.60827200 0.09411500 0.24795500 1.0 Mn Mn35 1 0.61116300 0.09692400 0.75057900 1.0 Mn Mn36 1 0.61125400 0.59764800 0.75070200 1.0 Mn Mn37 1 0.35895900 0.40107500 0.24774100 1.0 Mn Mn38 1 0.36096400 0.40336800 0.75064000 1.0 Mn Mn39 1 0.35515800 0.90367300 0.24628700 1.0 Mn Mn40 1 0.36136700 0.90341400 0.75071000 1.0 Mn Mn41 1 0.86131100 0.40353400 0.75077300 1.0 Mn Mn42 1 0.86076200 0.90254000 0.24812300 1.0 Mn Mn43 1 0.86155200 0.90325000 0.75085000 1.0 Fe Fe44 1 0.00731900 0.00172300 0.00507000 1.0 Fe Fe45 1 0.00359100 0.00037800 0.49924100 1.0 Fe Fe46 1 0.00603500 0.50184200 0.00253700 1.0 Fe Fe47 1 0.00408300 0.49954900 0.50000600 1.0 Fe Fe48 1 0.50569500 0.00126800 0.00343700 1.0 Fe Fe49 1 0.50318700 0.00018200 0.49937000 1.0 Fe Fe50 1 0.50449400 0.50159500 0.00188800 1.0 Fe Fe51 1 0.50340500 0.50044000 0.49971200 1.0 Fe Fe52 1 0.25515300 0.25196200 0.00288800 1.0 Fe Fe53 1 0.25425000 0.24985000 0.50017600 1.0 Fe Fe54 1 0.25539300 0.75251400 0.00407000 1.0 Fe Fe55 1 0.25409000 0.75021400 0.50015700 1.0 Fe Fe56 1 0.75466300 0.24946800 0.00106800 1.0 Fe Fe57 1 0.75293200 0.24917300 0.49917000 1.0 Fe Fe58 1 0.75670800 0.75343800 0.00381300 1.0 Fe Fe59 1 0.75387400 0.75063500 0.50043100 1.0 Fe Fe60 1 0.10636500 0.08497700 0.24592900 1.0 Fe Fe61 1 0.10920500 0.58974300 0.24892200 1.0 Fe Fe62 1 0.60549100 0.59002100 0.24787000 1.0 Fe Fe63 1 0.85757900 0.40708200 0.24923300 1.0 O O64 1 0.12482000 0.12291200 0.49270300 1.0 O O65 1 0.12656100 0.12195200 0.99397900 1.0 O O66 1 0.12358400 0.62188500 0.49170900 1.0 O O67 1 0.12617500 0.62402300 0.99577100 1.0 O O68 1 0.62434200 0.12287500 0.49371000 1.0 O O69 1 0.62703800 0.12281100 0.99548300 1.0 O O70 1 0.62451400 0.62289800 0.49240100 1.0 O O71 1 0.62471500 0.62299200 0.99269400 1.0 O O72 1 0.13597300 0.38303900 0.01186100 1.0 O O73 1 0.13161300 0.37690300 0.50629800 1.0 O O74 1 0.13479100 0.88038000 0.01344900 1.0 O O75 1 0.13095300 0.87685700 0.50561000 1.0 O O76 1 0.63241700 0.37773300 0.00897200 1.0 O O77 1 0.63078000 0.37766900 0.50595500 1.0 O O78 1 0.63516600 0.88092500 0.00917200 1.0 O O79 1 0.63034500 0.87675400 0.50525600 1.0 O O80 1 0.37411700 0.12116100 0.49273200 1.0 O O81 1 0.37550700 0.12176000 0.99553100 1.0 O O82 1 0.37396900 0.62110300 0.49241200 1.0 O O83 1 0.37472700 0.62110600 0.99563600 1.0 O O84 1 0.87477600 0.12133300 0.49356500 1.0 O O85 1 0.87529200 0.11982800 0.99532200 1.0 O O86 1 0.87380800 0.62000700 0.49142100 1.0 O O87 1 0.87843500 0.62383100 0.99599600 1.0 O O88 1 0.38203200 0.38417100 0.01133700 1.0 O O89 1 0.38137500 0.37896000 0.50611200 1.0 O O90 1 0.38063000 0.88311100 0.01002100 1.0 O O91 1 0.38153800 0.87907500 0.50634800 1.0 O O92 1 0.88315000 0.38074900 0.00965000 1.0 O O93 1 0.88072400 0.37876200 0.50552500 1.0 O O94 1 0.88639400 0.88318900 0.01341600 1.0 O O95 1 0.88164100 0.87912600 0.50675600 1.0 O O96 1 0.09051100 0.09609600 0.13955000 1.0 O O97 1 0.07613100 0.08570200 0.63631900 1.0 O O98 1 0.08581200 0.60292000 0.14170800 1.0 O O99 1 0.07517200 0.58566900 0.63580600 1.0 O O100 1 0.58034700 0.08538000 0.13569300 1.0 O O101 1 0.57552500 0.08554200 0.63620100 1.0 O O102 1 0.58477000 0.59641100 0.13990000 1.0 O O103 1 0.57548200 0.58599800 0.63600800 1.0 O O104 1 0.43929500 0.41679200 0.36251700 1.0 O O105 1 0.43914000 0.41399200 0.86482500 1.0 O O106 1 0.43622300 0.91782400 0.36191000 1.0 O O107 1 0.43974700 0.91460600 0.86473100 1.0 O O108 1 0.94005500 0.40428600 0.35940100 1.0 O O109 1 0.94040700 0.41475900 0.86519500 1.0 O O110 1 0.94005800 0.91681000 0.36355900 1.0 O O111 1 0.94015500 0.91362400 0.86480600 1.0 O O112 1 0.32553500 0.29091300 0.13676600 1.0 O O113 1 0.32598100 0.30046600 0.63620600 1.0 O O114 1 0.32613600 0.79055800 0.13608700 1.0 O O115 1 0.32530700 0.80021900 0.63588300 1.0 O O116 1 0.83105700 0.28698100 0.14167900 1.0 O O117 1 0.82574200 0.30108900 0.63636700 1.0 O O118 1 0.82772800 0.79753600 0.13571000 1.0 O O119 1 0.82559200 0.80015900 0.63592100 1.0 O O120 1 0.19092300 0.19862200 0.35709900 1.0 O O121 1 0.18989900 0.20087000 0.86511600 1.0 O O122 1 0.19094700 0.70395300 0.35882800 1.0 O O123 1 0.18905000 0.70015200 0.86486000 1.0 O O124 1 0.68548900 0.19801200 0.36303400 1.0 O O125 1 0.69026100 0.19992700 0.86506100 1.0 O O126 1 0.68823300 0.70377300 0.35804500 1.0 O O127 1 0.69118900 0.70067700 0.86452600 1.0 O O128 1 0.43091500 0.05998500 0.24099600 1.0 O O129 1 0.44170700 0.06213800 0.75047600 1.0 O O130 1 0.43213100 0.55615400 0.24142400 1.0 O O131 1 0.44197500 0.56218300 0.75071000 1.0 O O132 1 0.93406000 0.06040800 0.24194000 1.0 O O133 1 0.94178300 0.06207200 0.75056700 1.0 O O134 1 0.93627200 0.55912700 0.24858800 1.0 O O135 1 0.94175000 0.56220600 0.75068300 1.0 O O136 1 0.18334700 0.43622300 0.24944800 1.0 O O137 1 0.19170300 0.43829400 0.75032700 1.0 O O138 1 0.17517600 0.92629700 0.24221800 1.0 O O139 1 0.19192100 0.93824100 0.75063100 1.0 O O140 1 0.68546400 0.43795900 0.24974400 1.0 O O141 1 0.69182400 0.43811500 0.75038300 1.0 O O142 1 0.68995700 0.93837400 0.24999200 1.0 O O143 1 0.69196000 0.93815800 0.75047200 1.0