# generated using pymatgen data_Sr16Fe16O41 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61993700 _cell_length_b 5.62012875 _cell_length_c 36.77478866 _cell_angle_alpha 86.06014116 _cell_angle_beta 86.04391974 _cell_angle_gamma 60.20608129 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr16Fe16O41 _chemical_formula_sum 'Sr16 Fe16 O41' _cell_volume 1004.79372382 _cell_formula_units_Z 1 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 0.37588000 0.37514900 0.87159500 1.0 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1.0 Sr Sr2 1 0.68664900 0.68996600 0.93681600 1.0 Sr Sr3 1 0.62412000 0.62485100 0.12840500 1.0 Sr Sr4 1 0.31335100 0.31003400 0.06318400 1.0 Sr Sr5 1 0.24472100 0.25608600 0.24692800 1.0 Sr Sr6 1 0.93142900 0.94286100 0.19057500 1.0 Sr Sr7 1 0.87789400 0.87394600 0.37417400 1.0 Sr Sr8 1 0.56237700 0.56349300 0.30904700 1.0 Sr Sr9 1 0.50000000 0.50000000 0.50000000 1.0 Sr Sr10 1 0.12210600 0.12605400 0.62582600 1.0 Sr Sr11 1 0.18769300 0.18784000 0.43686100 1.0 Sr Sr12 1 0.81230700 0.81216000 0.56313900 1.0 Sr Sr13 1 0.75527900 0.74391400 0.75307200 1.0 Sr Sr14 1 0.43762300 0.43650700 0.69095300 1.0 Sr Sr15 1 0.06857100 0.05713900 0.80942500 1.0 Fe Fe16 1 0.70016300 0.75375200 0.84082000 1.0 Fe Fe17 1 0.33086600 0.37193600 0.96584400 1.0 Fe Fe18 1 0.04340000 0.00529300 0.90823900 1.0 Fe Fe19 1 0.66913400 0.62806400 0.03415600 1.0 Fe Fe20 1 0.95660000 0.99470700 0.09176100 1.0 Fe Fe21 1 0.29983700 0.24624800 0.15918000 1.0 Fe Fe22 1 0.59905300 0.58841200 0.21876400 1.0 Fe Fe23 1 0.94105500 0.88775500 0.27835900 1.0 Fe Fe24 1 0.19200000 0.23121300 0.34569500 1.0 Fe Fe25 1 0.55768100 0.51940200 0.40324200 1.0 Fe Fe26 1 0.81634200 0.85637400 0.47108900 1.0 Fe Fe27 1 0.18365800 0.14362600 0.52891100 1.0 Fe Fe28 1 0.44231900 0.48059800 0.59675800 1.0 Fe Fe29 1 0.05894500 0.11224500 0.72164100 1.0 Fe Fe30 1 0.80800000 0.76878700 0.65430500 1.0 Fe Fe31 1 0.40094700 0.41158800 0.78123600 1.0 O O32 1 0.68808100 0.18520500 0.93775800 1.0 O O33 1 0.87405600 0.87805300 0.87456500 1.0 O O34 1 0.18559500 0.18578800 0.93852200 1.0 O O35 1 0.18546700 0.69009200 0.93762500 1.0 O O36 1 0.31191900 0.81479500 0.06224200 1.0 O O37 1 0.37130900 0.88864200 0.87576200 1.0 O O38 1 0.50000000 0.50000000 0.00000000 1.0 O O39 1 0.81440500 0.81421200 0.06147800 1.0 O O40 1 0.81453300 0.30990800 0.06237500 1.0 O O41 1 0.00000000 0.50000000 0.00000000 1.0 O O42 1 0.94037100 0.45519900 0.18612800 1.0 O O43 1 0.12594400 0.12194700 0.12543500 1.0 O O44 1 0.42263400 0.46768200 0.18118700 1.0 O O45 1 0.45074700 0.93852300 0.19027700 1.0 O O46 1 0.62869100 0.11135800 0.12423800 1.0 O O47 1 0.73217300 0.24732700 0.25156200 1.0 O O48 1 0.71934500 0.76524000 0.25649200 1.0 O O49 1 0.06535200 0.06129000 0.31219800 1.0 O O50 1 0.07624200 0.55890700 0.31337800 1.0 O O51 1 0.24850000 0.73691100 0.24739100 1.0 O O52 1 0.37274300 0.87617100 0.37526100 1.0 O O53 1 0.37322400 0.37242700 0.37609400 1.0 O O54 1 0.68629900 0.68767200 0.43748300 1.0 O O55 1 0.68749400 0.18820600 0.43766600 1.0 O O56 1 0.87792300 0.37262800 0.37527600 1.0 O O57 1 0.00000000 0.50000000 0.50000000 1.0 O O58 1 0.00000000 0.00000000 0.50000000 1.0 O O59 1 0.31370100 0.31232800 0.56251700 1.0 O O60 1 0.62725700 0.12382900 0.62473900 1.0 O O61 1 0.50000000 0.00000000 0.50000000 1.0 O O62 1 0.31250600 0.81179400 0.56233400 1.0 O O63 1 0.62677600 0.62757300 0.62390600 1.0 O O64 1 0.93464800 0.93871000 0.68780200 1.0 O O65 1 0.12207700 0.62737200 0.62472400 1.0 O O66 1 0.26782700 0.75267300 0.74843800 1.0 O O67 1 0.05962900 0.54480100 0.81387200 1.0 O O68 1 0.92375800 0.44109300 0.68662200 1.0 O O69 1 0.28065500 0.23476000 0.74350800 1.0 O O70 1 0.57736600 0.53231800 0.81881300 1.0 O O71 1 0.75150000 0.26308900 0.75260900 1.0 O O72 1 0.54925300 0.06147700 0.80972300 1.0