# generated using pymatgen data_Sr18Fe18O47 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63472748 _cell_length_b 5.63048842 _cell_length_c 50.37670297 _cell_angle_alpha 60.17222777 _cell_angle_beta 59.98333832 _cell_angle_gamma 59.69005067 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr18Fe18O47 _chemical_formula_sum 'Sr18 Fe18 O47' _cell_volume 1128.78421372 _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 0.25000300 0.24999900 0.02777700 1.0 Sr Sr1 1 0.25364200 0.25731400 0.13589500 1.0 Sr Sr2 1 0.73540300 0.74817500 0.08503900 1.0 Sr Sr3 1 0.25240100 0.25173200 0.24955400 1.0 Sr Sr4 1 0.75958500 0.75552400 0.19173400 1.0 Sr Sr5 1 0.24387800 0.24367200 0.36210500 1.0 Sr Sr6 1 0.23739200 0.23698300 0.47659600 1.0 Sr Sr7 1 0.74842100 0.74794600 0.30597500 1.0 Sr Sr8 1 0.74111400 0.74093600 0.41977400 1.0 Sr Sr9 1 0.26261500 0.26302200 0.57895800 1.0 Sr Sr10 1 0.75000200 0.75000500 0.52777700 1.0 Sr Sr11 1 0.25611800 0.25633100 0.69345000 1.0 Sr Sr12 1 0.75887200 0.75907300 0.63578100 1.0 Sr Sr13 1 0.24760300 0.24826900 0.80600100 1.0 Sr Sr14 1 0.24635400 0.24268200 0.91966300 1.0 Sr Sr15 1 0.75157500 0.75205800 0.74958100 1.0 Sr Sr16 1 0.74041900 0.74447700 0.86382200 1.0 Sr Sr17 1 0.76459500 0.75181800 0.97051700 1.0 Fe Fe18 1 0.97532600 0.01875100 0.99796500 1.0 Fe Fe19 1 0.52469100 0.48123900 0.05759400 1.0 Fe Fe20 1 0.00556100 0.00055300 0.11053400 1.0 Fe Fe21 1 0.52728300 0.52231000 0.16385500 1.0 Fe Fe22 1 0.97890600 0.97878400 0.33590900 1.0 Fe Fe23 1 0.98147800 0.98060300 0.22402700 1.0 Fe Fe24 1 0.52175200 0.52052800 0.27524000 1.0 Fe Fe25 1 0.51927400 0.51900200 0.38726200 1.0 Fe Fe26 1 0.97644100 0.97623600 0.44733600 1.0 Fe Fe27 1 0.98071800 0.98098900 0.66829500 1.0 Fe Fe28 1 0.99964300 0.99991200 0.55544300 1.0 Fe Fe29 1 0.50036400 0.50009700 0.50011200 1.0 Fe Fe30 1 0.52355300 0.52376800 0.60822000 1.0 Fe Fe31 1 0.52108000 0.52121400 0.71964800 1.0 Fe Fe32 1 0.97825800 0.97946700 0.78031400 1.0 Fe Fe33 1 0.51851900 0.51937900 0.83152700 1.0 Fe Fe34 1 0.97273000 0.97768800 0.89170300 1.0 Fe Fe35 1 0.49444900 0.49943400 0.94502100 1.0 O O36 1 0.23873600 0.27019700 0.08231300 1.0 O O37 1 0.23523200 0.77495200 0.07803800 1.0 O O38 1 0.75000200 0.24999100 0.02777800 1.0 O O39 1 0.73981800 0.26013900 0.08569600 1.0 O O40 1 0.75000500 0.74998900 0.02777900 1.0 O O41 1 0.24767300 0.72923200 0.13982100 1.0 O O42 1 0.71284200 0.22178500 0.14461400 1.0 O O43 1 0.25071700 0.75002900 0.19407200 1.0 O O44 1 0.75331700 0.25893200 0.19486000 1.0 O O45 1 0.77045500 0.74287600 0.13634300 1.0 O O46 1 0.24942700 0.74712900 0.24997900 1.0 O O47 1 0.24902600 0.74977400 0.30536800 1.0 O O48 1 0.74957200 0.24427300 0.25080300 1.0 O O49 1 0.75176900 0.25116400 0.30540800 1.0 O O50 1 0.74970500 0.75188000 0.24989700 1.0 O O51 1 0.25594400 0.75397700 0.36016000 1.0 O O52 1 0.24529700 0.75203500 0.41621800 1.0 O O53 1 0.75339900 0.25557900 0.36031600 1.0 O O54 1 0.75207900 0.24575100 0.41622500 1.0 O O55 1 0.74912900 0.74996600 0.36093600 1.0 O O56 1 0.24999800 0.25000600 0.52777700 1.0 O O57 1 0.26899400 0.78092800 0.46823900 1.0 O O58 1 0.25000500 0.74999900 0.52777800 1.0 O O59 1 0.78108000 0.26961100 0.46818400 1.0 O O60 1 0.75000400 0.24999900 0.52777700 1.0 O O61 1 0.23099700 0.71909100 0.58731600 1.0 O O62 1 0.74479500 0.74512900 0.47440500 1.0 O O63 1 0.71891000 0.23040400 0.58737100 1.0 O O64 1 0.25469400 0.74795900 0.63933800 1.0 O O65 1 0.74792500 0.25424700 0.63933000 1.0 O O66 1 0.75519900 0.75487800 0.58115000 1.0 O O67 1 0.24405000 0.74602400 0.69539500 1.0 O O68 1 0.74659000 0.24442700 0.69524000 1.0 O O69 1 0.25096300 0.75023200 0.75018700 1.0 O O70 1 0.75086200 0.75003300 0.69462100 1.0 O O71 1 0.74823200 0.24884100 0.75014700 1.0 O O72 1 0.25058200 0.75288700 0.80557400 1.0 O O73 1 0.24929200 0.74996300 0.86148300 1.0 O O74 1 0.75042700 0.25572900 0.80475200 1.0 O O75 1 0.74668900 0.24106900 0.86069400 1.0 O O76 1 0.75029500 0.74812600 0.80566000 1.0 O O77 1 0.26125200 0.22980500 0.97324400 1.0 O O78 1 0.25232700 0.77075900 0.91573600 1.0 O O79 1 0.78717600 0.27822100 0.91093900 1.0 O O80 1 0.26477400 0.72505200 0.97751700 1.0 O O81 1 0.76019400 0.23984600 0.96986200 1.0 O O82 1 0.72953300 0.75711500 0.91921300 1.0