# generated using pymatgen data_Sr4Ca4Mn7FeO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.99161885 _cell_length_b 11.12231847 _cell_length_c 17.69900725 _cell_angle_alpha 108.25746518 _cell_angle_beta 108.14992098 _cell_angle_gamma 90.08590357 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4Ca4Mn7FeO20 _chemical_formula_sum 'Sr16 Ca16 Mn28 Fe4 O80' _cell_volume 1940.77229357 _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 0.30901700 0.55974900 0.61064400 1.0 Sr Sr1 1 0.80705500 0.05676900 0.60824000 1.0 Sr Sr2 1 0.80979300 0.55858300 0.61096500 1.0 Sr Sr3 1 0.19599100 0.43973500 0.38686400 1.0 Sr Sr4 1 0.20027100 0.44276600 0.89258400 1.0 Sr Sr5 1 0.69707300 0.43979600 0.38718900 1.0 Sr Sr6 1 0.69787700 0.93846500 0.38636200 1.0 Sr Sr7 1 0.70097400 0.94049900 0.89306500 1.0 Sr Sr8 1 0.05997100 0.29953600 0.60962000 1.0 Sr Sr9 1 0.06006800 0.80206100 0.60950700 1.0 Sr Sr10 1 0.55943200 0.30150700 0.61057500 1.0 Sr Sr11 1 0.55876300 0.80101100 0.60941300 1.0 Sr Sr12 1 0.44652300 0.19728000 0.38696800 1.0 Sr Sr13 1 0.45012700 0.20054200 0.89030700 1.0 Sr Sr14 1 0.94760000 0.19602600 0.38651800 1.0 Sr Sr15 1 0.94944100 0.20012600 0.89174100 1.0 Ca Ca16 1 0.30527600 0.06463100 0.10648600 1.0 Ca Ca17 1 0.30663800 0.05797500 0.60334300 1.0 Ca Ca18 1 0.30738600 0.56412900 0.10803000 1.0 Ca Ca19 1 0.80400000 0.06291700 0.10544500 1.0 Ca Ca20 1 0.80663000 0.56260800 0.10782200 1.0 Ca Ca21 1 0.20110800 0.93681800 0.39196500 1.0 Ca Ca22 1 0.20233900 0.93891900 0.89739900 1.0 Ca Ca23 1 0.70242500 0.44035900 0.89778600 1.0 Ca Ca24 1 0.05548400 0.29195900 0.10665000 1.0 Ca Ca25 1 0.05559800 0.79281400 0.10650000 1.0 Ca Ca26 1 0.55443700 0.29320700 0.10562800 1.0 Ca Ca27 1 0.55485300 0.79208400 0.10489600 1.0 Ca Ca28 1 0.44882300 0.70438700 0.39266800 1.0 Ca Ca29 1 0.45067500 0.70746600 0.89652700 1.0 Ca Ca30 1 0.95085100 0.70487300 0.39227900 1.0 Ca Ca31 1 0.95180100 0.70791400 0.89826100 1.0 Mn Mn32 1 0.00474700 0.99827400 0.49779700 1.0 Mn Mn33 1 0.00263000 0.49987900 0.49804800 1.0 Mn Mn34 1 0.50225900 0.99844900 0.49759800 1.0 Mn Mn35 1 0.50709500 0.50173100 0.00262600 1.0 Mn Mn36 1 0.50212600 0.49926700 0.49744600 1.0 Mn Mn37 1 0.25776800 0.25223500 0.00341500 1.0 Mn Mn38 1 0.25315500 0.24795300 0.49814200 1.0 Mn Mn39 1 0.25727200 0.75239400 0.00289000 1.0 Mn Mn40 1 0.25260500 0.74933000 0.49698800 1.0 Mn Mn41 1 0.75759500 0.25397400 0.00485900 1.0 Mn Mn42 1 0.75293600 0.24927200 0.49848400 1.0 Mn Mn43 1 0.75276400 0.74770400 0.49641300 1.0 Mn Mn44 1 0.10656400 0.08873400 0.24471300 1.0 Mn Mn45 1 0.11629100 0.09353900 0.75266600 1.0 Mn Mn46 1 0.10767000 0.60021400 0.24617000 1.0 Mn Mn47 1 0.11394400 0.60364700 0.75489600 1.0 Mn Mn48 1 0.60520800 0.08968000 0.24267500 1.0 Mn Mn49 1 0.60774800 0.09884200 0.74989100 1.0 Mn Mn50 1 0.60553000 0.59423100 0.24554500 1.0 Mn Mn51 1 0.61288600 0.59760600 0.75696400 1.0 Mn Mn52 1 0.35548700 0.40753900 0.24582200 1.0 Mn Mn53 1 0.36611000 0.40606700 0.75393900 1.0 Mn Mn54 1 0.35275400 0.89774900 0.24575100 1.0 Mn Mn55 1 0.36005900 0.90301100 0.75310700 1.0 Mn Mn56 1 0.85674700 0.40819300 0.24668600 1.0 Mn Mn57 1 0.86150700 0.41146900 0.75786100 1.0 Mn Mn58 1 0.85989600 0.89529400 0.24341400 1.0 Mn Mn59 1 0.86697300 0.90088200 0.75297700 1.0 Fe Fe60 1 0.00860500 0.00091000 0.00378100 1.0 Fe Fe61 1 0.00710700 0.50168300 0.00361500 1.0 Fe Fe62 1 0.50604100 0.00134800 0.00294600 1.0 Fe Fe63 1 0.75661900 0.74925600 0.00214900 1.0 O O64 1 0.12793800 0.11818800 0.49277900 1.0 O O65 1 0.12994000 0.12205100 0.99440500 1.0 O O66 1 0.12081300 0.62373000 0.48957400 1.0 O O67 1 0.12647700 0.62780600 0.99335400 1.0 O O68 1 0.62432200 0.12201100 0.49387600 1.0 O O69 1 0.62950700 0.12741200 0.99731600 1.0 O O70 1 0.62205500 0.62333200 0.49125000 1.0 O O71 1 0.62418500 0.61879300 0.99137600 1.0 O O72 1 0.13921000 0.38014800 0.01591500 1.0 O O73 1 0.12979800 0.37638100 0.50383700 1.0 O O74 1 0.13701300 0.87880900 0.01184900 1.0 O O75 1 0.13167900 0.87705700 0.50064600 1.0 O O76 1 0.63960800 0.38276100 0.01560500 1.0 O O77 1 0.62889600 0.37644800 0.50216600 1.0 O O78 1 0.63324000 0.87756000 0.01301300 1.0 O O79 1 0.62610100 0.87220800 0.49918600 1.0 O O80 1 0.37115200 0.11611100 0.49153300 1.0 O O81 1 0.37308300 0.12074000 0.99296800 1.0 O O82 1 0.37552100 0.62359500 0.49189800 1.0 O O83 1 0.37812000 0.62646500 0.99369700 1.0 O O84 1 0.87701800 0.12127400 0.49574000 1.0 O O85 1 0.87824900 0.12288700 0.99722000 1.0 O O86 1 0.87554800 0.62229900 0.49158200 1.0 O O87 1 0.87455100 0.61679700 0.99003100 1.0 O O88 1 0.38787100 0.38626800 0.01556700 1.0 O O89 1 0.37910000 0.37676000 0.50306400 1.0 O O90 1 0.38327500 0.88292000 0.01340800 1.0 O O91 1 0.37850000 0.87940900 0.50410800 1.0 O O92 1 0.88446500 0.38170100 0.01372200 1.0 O O93 1 0.87909900 0.37698100 0.50255800 1.0 O O94 1 0.88845100 0.88214800 0.01427700 1.0 O O95 1 0.88066400 0.87421000 0.50050300 1.0 O O96 1 0.08820700 0.09129600 0.13447600 1.0 O O97 1 0.08497600 0.07583900 0.63801200 1.0 O O98 1 0.07845000 0.59507800 0.13217200 1.0 O O99 1 0.07173400 0.58302200 0.63779300 1.0 O O100 1 0.57870500 0.09351700 0.13211700 1.0 O O101 1 0.57401400 0.07914200 0.63445400 1.0 O O102 1 0.57836900 0.59694900 0.13491900 1.0 O O103 1 0.57557300 0.58050700 0.64124700 1.0 O O104 1 0.43179400 0.41765400 0.35921200 1.0 O O105 1 0.44514100 0.41467000 0.86824800 1.0 O O106 1 0.43337600 0.91267500 0.36055700 1.0 O O107 1 0.44666600 0.91489600 0.86944400 1.0 O O108 1 0.93328500 0.41708100 0.35994200 1.0 O O109 1 0.94645700 0.41434200 0.87074400 1.0 O O110 1 0.93830800 0.91358100 0.35894800 1.0 O O111 1 0.94830300 0.91169100 0.86950900 1.0 O O112 1 0.33740300 0.29284900 0.13786900 1.0 O O113 1 0.32923000 0.30028700 0.63915500 1.0 O O114 1 0.32686100 0.78842700 0.13329400 1.0 O O115 1 0.31974200 0.80291500 0.63797900 1.0 O O116 1 0.83602900 0.29447100 0.13773600 1.0 O O117 1 0.82565700 0.31297700 0.64266400 1.0 O O118 1 0.83262300 0.78410100 0.13225000 1.0 O O119 1 0.82445300 0.80540000 0.63714800 1.0 O O120 1 0.18208100 0.19062500 0.35864800 1.0 O O121 1 0.19278600 0.20442800 0.86495100 1.0 O O122 1 0.19099500 0.69902600 0.36071500 1.0 O O123 1 0.20154300 0.71052400 0.87025700 1.0 O O124 1 0.68297000 0.18603400 0.35778700 1.0 O O125 1 0.68586900 0.20713600 0.86506200 1.0 O O126 1 0.69147400 0.68982100 0.35968400 1.0 O O127 1 0.69902600 0.70467000 0.86958600 1.0 O O128 1 0.42693800 0.05923900 0.23979500 1.0 O O129 1 0.42813100 0.06554200 0.74390700 1.0 O O130 1 0.42762800 0.57812500 0.24837800 1.0 O O131 1 0.43785700 0.58033000 0.76009900 1.0 O O132 1 0.92754400 0.06224300 0.23817400 1.0 O O133 1 0.94166800 0.06566700 0.75090800 1.0 O O134 1 0.92871700 0.57628600 0.24851900 1.0 O O135 1 0.93832300 0.57863900 0.76204000 1.0 O O136 1 0.17622600 0.42822400 0.23962400 1.0 O O137 1 0.19035000 0.43916200 0.75204000 1.0 O O138 1 0.17540400 0.91934700 0.24702800 1.0 O O139 1 0.18711000 0.92817600 0.76067000 1.0 O O140 1 0.67515300 0.42510800 0.23904500 1.0 O O141 1 0.68486100 0.43129400 0.76084500 1.0 O O142 1 0.68116300 0.92373900 0.23858500 1.0 O O143 1 0.69237800 0.94011900 0.75322400 1.0