# generated using pymatgen data_Sr2Ca6Fe3(CoO4)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.71883551 _cell_length_b 11.19421988 _cell_length_c 17.15706492 _cell_angle_alpha 108.77988880 _cell_angle_beta 107.97537643 _cell_angle_gamma 90.43221701 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ca6Fe3(CoO4)5 _chemical_formula_sum 'Sr8 Ca24 Fe12 Co20 O80' _cell_volume 1840.81886039 _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 0.30698000 0.56274900 0.60888800 1.0 Sr Sr1 1 0.80656900 0.06346200 0.60863300 1.0 Sr Sr2 1 0.19964900 0.43841400 0.89565400 1.0 Sr Sr3 1 0.05629100 0.29251500 0.60790200 1.0 Sr Sr4 1 0.05546900 0.79597300 0.60947800 1.0 Sr Sr5 1 0.55759800 0.29701900 0.60927100 1.0 Sr Sr6 1 0.45038500 0.20555800 0.89376800 1.0 Sr Sr7 1 0.94454600 0.20193300 0.38529700 1.0 Ca Ca8 1 0.30230000 0.06708400 0.10719000 1.0 Ca Ca9 1 0.30696900 0.06642800 0.60494000 1.0 Ca Ca10 1 0.30588300 0.56767100 0.10891100 1.0 Ca Ca11 1 0.80661400 0.06915200 0.10579700 1.0 Ca Ca12 1 0.80633200 0.56493300 0.10802900 1.0 Ca Ca13 1 0.80291000 0.56652900 0.60690200 1.0 Ca Ca14 1 0.19232100 0.43180000 0.38857100 1.0 Ca Ca15 1 0.19582700 0.93076600 0.38854000 1.0 Ca Ca16 1 0.19663300 0.93240600 0.89786100 1.0 Ca Ca17 1 0.69523400 0.43381300 0.38907900 1.0 Ca Ca18 1 0.70122800 0.43479300 0.89792000 1.0 Ca Ca19 1 0.69539900 0.93059900 0.39037100 1.0 Ca Ca20 1 0.70003500 0.93577400 0.89598600 1.0 Ca Ca21 1 0.05408900 0.29346900 0.10827500 1.0 Ca Ca22 1 0.05099900 0.79107000 0.10674600 1.0 Ca Ca23 1 0.55563500 0.29476200 0.11070200 1.0 Ca Ca24 1 0.55414200 0.78801500 0.10677500 1.0 Ca Ca25 1 0.55687300 0.78997900 0.60670100 1.0 Ca Ca26 1 0.44707600 0.20886700 0.39003700 1.0 Ca Ca27 1 0.44754700 0.70947200 0.38897700 1.0 Ca Ca28 1 0.44982600 0.71232200 0.89709900 1.0 Ca Ca29 1 0.95017700 0.21119300 0.89742100 1.0 Ca Ca30 1 0.94256200 0.70330900 0.38735400 1.0 Ca Ca31 1 0.94882400 0.71186100 0.89744800 1.0 Fe Fe32 1 0.10799500 0.08870600 0.75444900 1.0 Fe Fe33 1 0.10497800 0.59623900 0.75219500 1.0 Fe Fe34 1 0.60362000 0.09022300 0.25019400 1.0 Fe Fe35 1 0.60602600 0.08907200 0.74976000 1.0 Fe Fe36 1 0.61178700 0.59826800 0.75449900 1.0 Fe Fe37 1 0.35449000 0.41037700 0.24929400 1.0 Fe Fe38 1 0.36155300 0.41219000 0.75361400 1.0 Fe Fe39 1 0.35241400 0.90846600 0.24832600 1.0 Fe Fe40 1 0.36004200 0.90803100 0.75156400 1.0 Fe Fe41 1 0.85495400 0.41242400 0.75250800 1.0 Fe Fe42 1 0.85599800 0.90441200 0.24712900 1.0 Fe Fe43 1 0.85448400 0.90602600 0.75367900 1.0 Co Co44 1 0.00641000 0.00035600 0.00101100 1.0 Co Co45 1 0.00225600 0.99662100 0.49474600 1.0 Co Co46 1 0.00640500 0.50122300 0.00277200 1.0 Co Co47 1 0.99954300 0.49799300 0.49572700 1.0 Co Co48 1 0.50921300 0.00143700 0.00433300 1.0 Co Co49 1 0.50425700 0.99932900 0.49511800 1.0 Co Co50 1 0.50875600 0.50135000 0.00297200 1.0 Co Co51 1 0.50494900 0.49484200 0.49268300 1.0 Co Co52 1 0.25723200 0.25185300 0.00465800 1.0 Co Co53 1 0.25323900 0.24646100 0.49515200 1.0 Co Co54 1 0.25792000 0.75270800 0.00462500 1.0 Co Co55 1 0.25525900 0.74835800 0.49649700 1.0 Co Co56 1 0.75780700 0.25173100 0.00213800 1.0 Co Co57 1 0.75196000 0.24907000 0.49475700 1.0 Co Co58 1 0.75716900 0.75081300 0.00178300 1.0 Co Co59 1 0.75202400 0.74626200 0.49565600 1.0 Co Co60 1 0.10855600 0.09272600 0.24604200 1.0 Co Co61 1 0.10626200 0.59466000 0.24895000 1.0 Co Co62 1 0.60841100 0.59377400 0.24826700 1.0 Co Co63 1 0.85576100 0.40812800 0.24773500 1.0 O O64 1 0.12481800 0.11101200 0.48914200 1.0 O O65 1 0.12476800 0.12028700 0.98916900 1.0 O O66 1 0.11537700 0.61230700 0.48369500 1.0 O O67 1 0.12358700 0.62790800 0.99299000 1.0 O O68 1 0.61867500 0.11699300 0.48270800 1.0 O O69 1 0.62953900 0.12190700 0.99232800 1.0 O O70 1 0.61790400 0.61670500 0.48670000 1.0 O O71 1 0.62427300 0.62349900 0.98852500 1.0 O O72 1 0.13637200 0.38327200 0.01918400 1.0 O O73 1 0.13543500 0.37111700 0.50369700 1.0 O O74 1 0.13861500 0.88386100 0.01657400 1.0 O O75 1 0.14177600 0.87057100 0.50563700 1.0 O O76 1 0.64036500 0.38450300 0.01749900 1.0 O O77 1 0.64099500 0.37961800 0.51069000 1.0 O O78 1 0.63398300 0.88582500 0.01394100 1.0 O O79 1 0.63522600 0.86962100 0.50667400 1.0 O O80 1 0.36666900 0.11916400 0.48250700 1.0 O O81 1 0.37894700 0.10912000 0.99379800 1.0 O O82 1 0.36792800 0.62465300 0.48411400 1.0 O O83 1 0.37960300 0.62176600 0.99310100 1.0 O O84 1 0.86426900 0.11510700 0.48241000 1.0 O O85 1 0.87407800 0.11654900 0.98796700 1.0 O O86 1 0.86478600 0.61926800 0.48404600 1.0 O O87 1 0.87376400 0.61579100 0.98740800 1.0 O O88 1 0.38955400 0.38424800 0.01913300 1.0 O O89 1 0.38349700 0.38326800 0.50206500 1.0 O O90 1 0.38871300 0.88086400 0.01622400 1.0 O O91 1 0.39053900 0.88777900 0.50912700 1.0 O O92 1 0.88691500 0.38211900 0.01453700 1.0 O O93 1 0.88116600 0.38489300 0.50659200 1.0 O O94 1 0.88724000 0.88419000 0.01576600 1.0 O O95 1 0.88591100 0.87920200 0.50242100 1.0 O O96 1 0.08807300 0.10357100 0.14039000 1.0 O O97 1 0.08440400 0.08774200 0.63999200 1.0 O O98 1 0.08559600 0.60337700 0.14242000 1.0 O O99 1 0.07835700 0.59367300 0.63804100 1.0 O O100 1 0.59154100 0.10569000 0.14307500 1.0 O O101 1 0.58397900 0.09483200 0.63805700 1.0 O O102 1 0.58879800 0.60206300 0.14164100 1.0 O O103 1 0.58563300 0.59989300 0.64033100 1.0 O O104 1 0.44933900 0.39690200 0.35870500 1.0 O O105 1 0.45007900 0.40491800 0.86378200 1.0 O O106 1 0.44607400 0.89671800 0.35790100 1.0 O O107 1 0.45541700 0.89972500 0.86127900 1.0 O O108 1 0.94155300 0.40532200 0.35670900 1.0 O O109 1 0.94440900 0.39528900 0.85994000 1.0 O O110 1 0.95063300 0.89652700 0.35815700 1.0 O O111 1 0.94918200 0.89565300 0.86255100 1.0 O O112 1 0.33781800 0.28547500 0.14208300 1.0 O O113 1 0.33492100 0.29051600 0.64264900 1.0 O O114 1 0.34028700 0.78700000 0.14100200 1.0 O O115 1 0.33659200 0.79233700 0.63912900 1.0 O O116 1 0.83976400 0.29101100 0.14289100 1.0 O O117 1 0.82743100 0.29714400 0.63759300 1.0 O O118 1 0.83568700 0.78246200 0.13935100 1.0 O O119 1 0.83181600 0.78876300 0.64225100 1.0 O O120 1 0.19161700 0.20868300 0.35230600 1.0 O O121 1 0.19483100 0.20853200 0.86301300 1.0 O O122 1 0.19673600 0.71014900 0.35565200 1.0 O O123 1 0.19842200 0.71361700 0.86229100 1.0 O O124 1 0.68953900 0.21277900 0.36237600 1.0 O O125 1 0.69398800 0.21161500 0.85920100 1.0 O O126 1 0.69404700 0.70947500 0.35440000 1.0 O O127 1 0.70295800 0.71898300 0.86253300 1.0 O O128 1 0.42195600 0.06927800 0.24899500 1.0 O O129 1 0.42211500 0.06571200 0.74422900 1.0 O O130 1 0.42514700 0.56962600 0.24951100 1.0 O O131 1 0.43303100 0.57434200 0.75804300 1.0 O O132 1 0.92427800 0.05902600 0.24065700 1.0 O O133 1 0.92795400 0.06750900 0.75758600 1.0 O O134 1 0.92421800 0.56972500 0.24837800 1.0 O O135 1 0.92387300 0.57304400 0.75274200 1.0 O O136 1 0.17373700 0.43226600 0.24969300 1.0 O O137 1 0.18105900 0.44000700 0.75139900 1.0 O O138 1 0.17235200 0.92949900 0.24809800 1.0 O O139 1 0.18280500 0.93302300 0.75957300 1.0 O O140 1 0.67391300 0.43229700 0.24907500 1.0 O O141 1 0.67857500 0.43906100 0.75884900 1.0 O O142 1 0.67538700 0.93212900 0.25041800 1.0 O O143 1 0.67214400 0.92821300 0.75133600 1.0