# generated using pymatgen data_Ba3Sr5Co4(CuO5)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.21515251 _cell_length_b 11.16550577 _cell_length_c 18.08489056 _cell_angle_alpha 108.11930443 _cell_angle_beta 108.00039908 _cell_angle_gamma 89.87717511 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Sr5Co4(CuO5)4 _chemical_formula_sum 'Ba12 Sr20 Co16 Cu16 O80' _cell_volume 2035.90257134 _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 Ba Ba0 1 0.30781400 0.05821200 0.11869600 1.0 Ba Ba1 1 0.30878800 0.55762400 0.11852200 1.0 Ba Ba2 1 0.80500300 0.05828600 0.11919400 1.0 Ba Ba3 1 0.80837200 0.55491200 0.11706600 1.0 Ba Ba4 1 0.18769800 0.94365700 0.38192100 1.0 Ba Ba5 1 0.18453800 0.93868600 0.87484100 1.0 Ba Ba6 1 0.68674400 0.43385800 0.87490700 1.0 Ba Ba7 1 0.05618600 0.31225300 0.11793300 1.0 Ba Ba8 1 0.05809500 0.81017200 0.11687900 1.0 Ba Ba9 1 0.55711200 0.30940800 0.11827300 1.0 Ba Ba10 1 0.55916600 0.81163600 0.11866000 1.0 Ba Ba11 1 0.93533200 0.68722600 0.87493700 1.0 Sr Sr12 1 0.30339600 0.05949300 0.61477500 1.0 Sr Sr13 1 0.30959400 0.55924200 0.61438400 1.0 Sr Sr14 1 0.80723100 0.05858200 0.61432500 1.0 Sr Sr15 1 0.80188000 0.55878800 0.61265300 1.0 Sr Sr16 1 0.19447000 0.44451100 0.39029300 1.0 Sr Sr17 1 0.19383600 0.43969100 0.88322100 1.0 Sr Sr18 1 0.69405700 0.44440300 0.38978200 1.0 Sr Sr19 1 0.69459700 0.94412000 0.38948500 1.0 Sr Sr20 1 0.69146700 0.94256800 0.88454400 1.0 Sr Sr21 1 0.05241400 0.30544100 0.61350500 1.0 Sr Sr22 1 0.05556100 0.80270000 0.61245900 1.0 Sr Sr23 1 0.55738800 0.30510300 0.61282400 1.0 Sr Sr24 1 0.55534900 0.80250500 0.61248100 1.0 Sr Sr25 1 0.44286500 0.19546200 0.38921000 1.0 Sr Sr26 1 0.44040200 0.19188400 0.88408800 1.0 Sr Sr27 1 0.44520400 0.69580600 0.39019600 1.0 Sr Sr28 1 0.44520700 0.69335100 0.88354800 1.0 Sr Sr29 1 0.94334200 0.19538400 0.39008700 1.0 Sr Sr30 1 0.94203000 0.19304200 0.88454000 1.0 Sr Sr31 1 0.94244200 0.69335300 0.38983700 1.0 Co Co32 1 0.99149400 0.99785700 0.99217400 1.0 Co Co33 1 0.99999900 0.00079200 0.50478700 1.0 Co Co34 1 0.99164200 0.49007600 0.98804100 1.0 Co Co35 1 0.00204200 0.50019300 0.50279500 1.0 Co Co36 1 0.49407000 0.99448600 0.98546100 1.0 Co Co37 1 0.50222400 0.00232100 0.50485400 1.0 Co Co38 1 0.49440500 0.49271500 0.98906200 1.0 Co Co39 1 0.50074100 0.49981300 0.50168100 1.0 Co Co40 1 0.24310400 0.24546800 0.98847400 1.0 Co Co41 1 0.25178700 0.25440800 0.50580400 1.0 Co Co42 1 0.24781400 0.74389400 0.98978800 1.0 Co Co43 1 0.25266200 0.75115500 0.50366200 1.0 Co Co44 1 0.74276400 0.24207200 0.98917100 1.0 Co Co45 1 0.75111200 0.25098200 0.50202600 1.0 Co Co46 1 0.74331100 0.74541900 0.99019900 1.0 Co Co47 1 0.75055100 0.75241900 0.50261800 1.0 Cu Cu48 1 0.11884000 0.11131000 0.25392200 1.0 Cu Cu49 1 0.11198000 0.10293900 0.74612800 1.0 Cu Cu50 1 0.12132700 0.60340800 0.25726300 1.0 Cu Cu51 1 0.11889500 0.59438800 0.74591700 1.0 Cu Cu52 1 0.62271600 0.11087500 0.25844200 1.0 Cu Cu53 1 0.61232100 0.09429600 0.74783400 1.0 Cu Cu54 1 0.62091300 0.60734100 0.25682500 1.0 Cu Cu55 1 0.61118600 0.60266100 0.74625600 1.0 Cu Cu56 1 0.37155800 0.39910400 0.25685500 1.0 Cu Cu57 1 0.36109400 0.39746700 0.74759200 1.0 Cu Cu58 1 0.37432200 0.89823800 0.25447000 1.0 Cu Cu59 1 0.36736800 0.89954000 0.74616100 1.0 Cu Cu60 1 0.87026200 0.39820300 0.25657600 1.0 Cu Cu61 1 0.86787300 0.39193600 0.74403200 1.0 Cu Cu62 1 0.86892400 0.89727600 0.25587600 1.0 Cu Cu63 1 0.85811800 0.90372200 0.74771400 1.0 O O64 1 0.13088700 0.13630300 0.49910700 1.0 O O65 1 0.12675500 0.13614300 0.99311700 1.0 O O66 1 0.13234900 0.63223000 0.49738900 1.0 O O67 1 0.13341900 0.63099200 0.99249700 1.0 O O68 1 0.63042300 0.13268600 0.49568400 1.0 O O69 1 0.62084400 0.12369800 0.99160700 1.0 O O70 1 0.63191900 0.63262200 0.49625000 1.0 O O71 1 0.63005300 0.62973800 0.99292000 1.0 O O72 1 0.11505600 0.38336900 0.99580200 1.0 O O73 1 0.11981600 0.38583700 0.50624800 1.0 O O74 1 0.11119200 0.88577700 0.99743800 1.0 O O75 1 0.11761000 0.88530000 0.50809000 1.0 O O76 1 0.61118800 0.37756100 0.99573200 1.0 O O77 1 0.61989300 0.38609200 0.50649600 1.0 O O78 1 0.61088500 0.88045000 0.99710400 1.0 O O79 1 0.61917900 0.88661000 0.50679700 1.0 O O80 1 0.38436700 0.11641400 0.49899500 1.0 O O81 1 0.37725000 0.11112400 0.99110500 1.0 O O82 1 0.38222600 0.61340200 0.49589400 1.0 O O83 1 0.38221100 0.61159700 0.99220400 1.0 O O84 1 0.87982600 0.11305600 0.49565800 1.0 O O85 1 0.87551300 0.11369400 0.99440100 1.0 O O86 1 0.88228400 0.61302200 0.49685600 1.0 O O87 1 0.88221600 0.61173400 0.99291600 1.0 O O88 1 0.36242900 0.36472000 0.99673300 1.0 O O89 1 0.36950800 0.37040000 0.50613600 1.0 O O90 1 0.36400900 0.86393400 0.99541100 1.0 O O91 1 0.37017900 0.87085700 0.50789700 1.0 O O92 1 0.86938800 0.36593900 0.99606300 1.0 O O93 1 0.86999400 0.37097400 0.50706100 1.0 O O94 1 0.86039700 0.86629000 0.99787500 1.0 O O95 1 0.86911600 0.87035900 0.50731100 1.0 O O96 1 0.06523700 0.08290700 0.14130400 1.0 O O97 1 0.06709000 0.08992400 0.63503200 1.0 O O98 1 0.07419700 0.58284600 0.14620300 1.0 O O99 1 0.08042000 0.58869500 0.63702100 1.0 O O100 1 0.57214200 0.08378600 0.14705700 1.0 O O101 1 0.57657700 0.08959600 0.63850700 1.0 O O102 1 0.57274000 0.58079400 0.14466500 1.0 O O103 1 0.56958400 0.58810100 0.63500200 1.0 O O104 1 0.44242400 0.41044300 0.36660200 1.0 O O105 1 0.42826200 0.41129700 0.85961800 1.0 O O106 1 0.44122100 0.90898900 0.36395000 1.0 O O107 1 0.43604700 0.91477100 0.85867200 1.0 O O108 1 0.94145300 0.40943200 0.36619400 1.0 O O109 1 0.93824600 0.41094700 0.85672300 1.0 O O110 1 0.93022800 0.90668800 0.36555200 1.0 O O111 1 0.92570500 0.92640700 0.86127600 1.0 O O112 1 0.32181500 0.31428800 0.14462800 1.0 O O113 1 0.32557800 0.30168800 0.63636300 1.0 O O114 1 0.32462800 0.81176800 0.14221200 1.0 O O115 1 0.32841100 0.79681000 0.63575500 1.0 O O116 1 0.81967900 0.31314300 0.14433600 1.0 O O117 1 0.82152100 0.29300400 0.63330800 1.0 O O118 1 0.82234700 0.81221600 0.14364100 1.0 O O119 1 0.82435700 0.80106900 0.63780200 1.0 O O120 1 0.19032800 0.20530100 0.36455200 1.0 O O121 1 0.18563000 0.19554700 0.85922000 1.0 O O122 1 0.19292200 0.69621500 0.36796900 1.0 O O123 1 0.19157500 0.68492900 0.85833400 1.0 O O124 1 0.69303200 0.20787300 0.36823600 1.0 O O125 1 0.68535100 0.18255200 0.86031100 1.0 O O126 1 0.69076300 0.70549200 0.36693200 1.0 O O127 1 0.67659300 0.69707800 0.85962100 1.0 O O128 1 0.47409400 0.04509700 0.26253700 1.0 O O129 1 0.45044400 0.05425100 0.74821100 1.0 O O130 1 0.47155800 0.54381300 0.26254100 1.0 O O131 1 0.45118700 0.54883100 0.74864700 1.0 O O132 1 0.97593900 0.03913500 0.26375600 1.0 O O133 1 0.95098900 0.05327000 0.74919800 1.0 O O134 1 0.96972800 0.54315100 0.26140200 1.0 O O135 1 0.95837000 0.53110500 0.73595400 1.0 O O136 1 0.22036500 0.46369200 0.26176200 1.0 O O137 1 0.19990000 0.43916100 0.74650200 1.0 O O138 1 0.22803000 0.97949500 0.25158200 1.0 O O139 1 0.20718000 0.95935300 0.73644100 1.0 O O140 1 0.72118900 0.46806600 0.26235900 1.0 O O141 1 0.71286700 0.46402900 0.73869000 1.0 O O142 1 0.72183400 0.97156500 0.26200400 1.0 O O143 1 0.69484100 0.94033200 0.74649200 1.0