# generated using pymatgen data_SrCa7Mn7FeO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.90624572 _cell_length_b 11.13631050 _cell_length_c 17.21523419 _cell_angle_alpha 108.77637124 _cell_angle_beta 108.33950683 _cell_angle_gamma 90.10707644 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCa7Mn7FeO20 _chemical_formula_sum 'Sr4 Ca28 Mn28 Fe4 O80' _cell_volume 1866.64548599 _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 0.30771400 0.56126700 0.61000500 1.0 Sr Sr1 1 0.05767300 0.29901500 0.61090600 1.0 Sr Sr2 1 0.55968900 0.29941900 0.61128000 1.0 Sr Sr3 1 0.44735300 0.19993400 0.88846900 1.0 Ca Ca4 1 0.30588600 0.06387500 0.10867900 1.0 Ca Ca5 1 0.30469600 0.05924300 0.60439100 1.0 Ca Ca6 1 0.30632100 0.56452300 0.10873800 1.0 Ca Ca7 1 0.80553200 0.06256300 0.10755400 1.0 Ca Ca8 1 0.80508600 0.06121800 0.60644800 1.0 Ca Ca9 1 0.80729600 0.56392700 0.10890600 1.0 Ca Ca10 1 0.80725700 0.56345600 0.60652200 1.0 Ca Ca11 1 0.19779300 0.43643500 0.39175500 1.0 Ca Ca12 1 0.19819500 0.43798700 0.89446800 1.0 Ca Ca13 1 0.19875200 0.93581500 0.39123900 1.0 Ca Ca14 1 0.19740100 0.93719200 0.89280800 1.0 Ca Ca15 1 0.69955200 0.43657300 0.39251500 1.0 Ca Ca16 1 0.70011200 0.43817700 0.89498100 1.0 Ca Ca17 1 0.69896500 0.93629100 0.39210300 1.0 Ca Ca18 1 0.69973700 0.93697300 0.89327800 1.0 Ca Ca19 1 0.05704800 0.29416300 0.10836100 1.0 Ca Ca20 1 0.05625600 0.79347500 0.10804000 1.0 Ca Ca21 1 0.05583800 0.79578600 0.60687400 1.0 Ca Ca22 1 0.55746500 0.29552100 0.10936300 1.0 Ca Ca23 1 0.55614100 0.79411900 0.10840800 1.0 Ca Ca24 1 0.55643100 0.79575800 0.60667400 1.0 Ca Ca25 1 0.44884300 0.20487400 0.39177000 1.0 Ca Ca26 1 0.44892900 0.70609700 0.39237300 1.0 Ca Ca27 1 0.44915600 0.70718600 0.89435500 1.0 Ca Ca28 1 0.94825400 0.20541900 0.39171100 1.0 Ca Ca29 1 0.94982300 0.20599600 0.89164000 1.0 Ca Ca30 1 0.94893600 0.70544700 0.39205900 1.0 Ca Ca31 1 0.94804400 0.70604100 0.89278800 1.0 Mn Mn32 1 0.00486500 0.99864800 0.49880800 1.0 Mn Mn33 1 0.00377100 0.50018800 0.49783700 1.0 Mn Mn34 1 0.50581100 0.99847300 0.49855500 1.0 Mn Mn35 1 0.50636400 0.50124300 0.00139200 1.0 Mn Mn36 1 0.50503400 0.49953700 0.49766400 1.0 Mn Mn37 1 0.25574500 0.25107800 0.00096900 1.0 Mn Mn38 1 0.25367400 0.24718000 0.49687600 1.0 Mn Mn39 1 0.25582900 0.75074200 0.00049700 1.0 Mn Mn40 1 0.25474700 0.75007000 0.49792000 1.0 Mn Mn41 1 0.75698800 0.25047800 0.00069800 1.0 Mn Mn42 1 0.75449900 0.24884300 0.49828900 1.0 Mn Mn43 1 0.75554400 0.74995400 0.49925000 1.0 Mn Mn44 1 0.11033500 0.09601800 0.24924000 1.0 Mn Mn45 1 0.10772700 0.09319800 0.74913200 1.0 Mn Mn46 1 0.11211800 0.59651600 0.25015700 1.0 Mn Mn47 1 0.10947400 0.60147400 0.75208200 1.0 Mn Mn48 1 0.61099100 0.09715200 0.25040800 1.0 Mn Mn49 1 0.61418200 0.09259300 0.74884900 1.0 Mn Mn50 1 0.61139900 0.59670900 0.25092400 1.0 Mn Mn51 1 0.61644600 0.60210400 0.75238100 1.0 Mn Mn52 1 0.35992800 0.40501100 0.25061100 1.0 Mn Mn53 1 0.36340400 0.40528800 0.75268800 1.0 Mn Mn54 1 0.36080100 0.90303400 0.24991200 1.0 Mn Mn55 1 0.36047600 0.90142700 0.74826700 1.0 Mn Mn56 1 0.85962600 0.40391500 0.24943700 1.0 Mn Mn57 1 0.86441500 0.40287200 0.75143300 1.0 Mn Mn58 1 0.86085400 0.90295100 0.25070500 1.0 Mn Mn59 1 0.86069800 0.90123200 0.74928600 1.0 Fe Fe60 1 0.00571200 0.00022300 0.00001400 1.0 Fe Fe61 1 0.00653900 0.49986900 0.00051600 1.0 Fe Fe62 1 0.50571800 0.00077900 0.00169800 1.0 Fe Fe63 1 0.75599500 0.75020800 0.00133300 1.0 O O64 1 0.12248500 0.11690300 0.48516100 1.0 O O65 1 0.12453500 0.12246000 0.98831000 1.0 O O66 1 0.12097300 0.62154400 0.48552400 1.0 O O67 1 0.12545100 0.62268200 0.98722700 1.0 O O68 1 0.62228700 0.11749300 0.48454000 1.0 O O69 1 0.62923200 0.12106400 0.99062900 1.0 O O70 1 0.62342900 0.62095800 0.48761100 1.0 O O71 1 0.62251600 0.61899600 0.98950800 1.0 O O72 1 0.13905400 0.37867500 0.01428600 1.0 O O73 1 0.13046300 0.37616300 0.50464900 1.0 O O74 1 0.13689700 0.87998500 0.01289400 1.0 O O75 1 0.13478900 0.87896800 0.51050500 1.0 O O76 1 0.64026300 0.37997000 0.01497900 1.0 O O77 1 0.63609700 0.38060300 0.50848200 1.0 O O78 1 0.63418400 0.87913400 0.01321300 1.0 O O79 1 0.63591900 0.87824000 0.51151600 1.0 O O80 1 0.37144000 0.11454200 0.48604800 1.0 O O81 1 0.37082200 0.11900100 0.99109500 1.0 O O82 1 0.37339200 0.61916400 0.48616900 1.0 O O83 1 0.37216100 0.62119600 0.98814200 1.0 O O84 1 0.87166600 0.11487000 0.48575000 1.0 O O85 1 0.87370700 0.11883800 0.98729400 1.0 O O86 1 0.87274200 0.61839700 0.48682600 1.0 O O87 1 0.87245800 0.61590800 0.98683000 1.0 O O88 1 0.38588200 0.38549000 0.01497500 1.0 O O89 1 0.38244200 0.37870100 0.50492500 1.0 O O90 1 0.38423800 0.88131100 0.01351300 1.0 O O91 1 0.38580100 0.88150500 0.51119700 1.0 O O92 1 0.88581800 0.37959700 0.01322600 1.0 O O93 1 0.88088100 0.38329900 0.50885600 1.0 O O94 1 0.88639000 0.88357200 0.01340800 1.0 O O95 1 0.88524300 0.88127800 0.51218200 1.0 O O96 1 0.08118000 0.09510600 0.13406800 1.0 O O97 1 0.07678000 0.08346000 0.63016300 1.0 O O98 1 0.08126800 0.59514000 0.13173100 1.0 O O99 1 0.07359100 0.59100700 0.63207300 1.0 O O100 1 0.57997700 0.09612100 0.13385600 1.0 O O101 1 0.58068700 0.08492800 0.62987500 1.0 O O102 1 0.57874600 0.59496600 0.13318400 1.0 O O103 1 0.57735200 0.59001800 0.63291900 1.0 O O104 1 0.44655500 0.40765000 0.36620300 1.0 O O105 1 0.44917000 0.41198400 0.86941000 1.0 O O106 1 0.44621700 0.90529200 0.36716000 1.0 O O107 1 0.44625400 0.90975700 0.86678100 1.0 O O108 1 0.94376200 0.40671600 0.36525300 1.0 O O109 1 0.95318600 0.40338600 0.86888100 1.0 O O110 1 0.94479000 0.90624700 0.36758600 1.0 O O111 1 0.94756200 0.90587800 0.86632600 1.0 O O112 1 0.32931600 0.29055100 0.13562000 1.0 O O113 1 0.32246400 0.29278500 0.63280300 1.0 O O114 1 0.32855500 0.78847300 0.13172800 1.0 O O115 1 0.32575400 0.79357500 0.63012800 1.0 O O116 1 0.82977700 0.28892700 0.13268600 1.0 O O117 1 0.82146300 0.28729400 0.63014300 1.0 O O118 1 0.83083100 0.78836800 0.13517600 1.0 O O119 1 0.82704700 0.78880500 0.63114400 1.0 O O120 1 0.19437200 0.20765500 0.36474500 1.0 O O121 1 0.19145000 0.21089300 0.86592200 1.0 O O122 1 0.19709100 0.71339800 0.36916200 1.0 O O123 1 0.19712800 0.71570100 0.86984900 1.0 O O124 1 0.69628000 0.21072400 0.36775100 1.0 O O125 1 0.69559200 0.21197900 0.86793300 1.0 O O126 1 0.69703300 0.71241400 0.36931700 1.0 O O127 1 0.69780200 0.71376100 0.86697000 1.0 O O128 1 0.42542900 0.07326300 0.25021100 1.0 O O129 1 0.42522800 0.06451400 0.74191600 1.0 O O130 1 0.42501400 0.57347500 0.25050600 1.0 O O131 1 0.43610100 0.57549700 0.75713500 1.0 O O132 1 0.92653400 0.07375500 0.24980000 1.0 O O133 1 0.92224000 0.07303200 0.74901200 1.0 O O134 1 0.92456600 0.57223300 0.25033100 1.0 O O135 1 0.92575000 0.57582700 0.74987400 1.0 O O136 1 0.17658200 0.42320500 0.25018600 1.0 O O137 1 0.18420700 0.43669900 0.75779300 1.0 O O138 1 0.17385000 0.92683500 0.24965000 1.0 O O139 1 0.17542900 0.92442900 0.75070000 1.0 O O140 1 0.67463800 0.42471900 0.25031300 1.0 O O141 1 0.68350200 0.43907600 0.75890400 1.0 O O142 1 0.67710700 0.92583900 0.25005400 1.0 O O143 1 0.67725100 0.92135900 0.75030800 1.0