# generated using pymatgen data_Ba3Sr(Cu2O5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.29391226 _cell_length_b 11.22454960 _cell_length_c 18.59220691 _cell_angle_alpha 107.58008044 _cell_angle_beta 107.72758871 _cell_angle_gamma 89.96288131 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Sr(Cu2O5)2 _chemical_formula_sum 'Ba24 Sr8 Cu32 O80' _cell_volume 2129.29708424 _cell_formula_units_Z 8 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 0.30716700 0.05680700 0.11291800 1.0 Ba Ba1 1 0.30710300 0.05957500 0.61652100 1.0 Ba Ba2 1 0.30707000 0.55477600 0.11214800 1.0 Ba Ba3 1 0.80721400 0.05760800 0.11522000 1.0 Ba Ba4 1 0.80607000 0.55558100 0.11314600 1.0 Ba Ba5 1 0.80842900 0.55572400 0.61365700 1.0 Ba Ba6 1 0.19248700 0.44297600 0.38769000 1.0 Ba Ba7 1 0.19338400 0.94688600 0.38916300 1.0 Ba Ba8 1 0.19329300 0.94242800 0.88366900 1.0 Ba Ba9 1 0.69607800 0.44293200 0.38815000 1.0 Ba Ba10 1 0.69220500 0.44169700 0.88402300 1.0 Ba Ba11 1 0.69576700 0.94598600 0.38835300 1.0 Ba Ba12 1 0.69168300 0.94307000 0.88559100 1.0 Ba Ba13 1 0.05721000 0.30701600 0.11251200 1.0 Ba Ba14 1 0.05801100 0.80548400 0.11290300 1.0 Ba Ba15 1 0.55571800 0.30775400 0.11289700 1.0 Ba Ba16 1 0.55576000 0.80571200 0.11275600 1.0 Ba Ba17 1 0.55754500 0.80716400 0.61433800 1.0 Ba Ba18 1 0.44428700 0.19385500 0.38823700 1.0 Ba Ba19 1 0.44417500 0.69354500 0.38786900 1.0 Ba Ba20 1 0.44217200 0.69214500 0.88446800 1.0 Ba Ba21 1 0.94305500 0.19282100 0.88390700 1.0 Ba Ba22 1 0.94387100 0.69411100 0.38807200 1.0 Ba Ba23 1 0.94410900 0.69290600 0.88524100 1.0 Sr Sr24 1 0.30575900 0.55511000 0.60811400 1.0 Sr Sr25 1 0.80902600 0.05832000 0.60846800 1.0 Sr Sr26 1 0.19915700 0.44133500 0.88951800 1.0 Sr Sr27 1 0.05728300 0.30267500 0.60923100 1.0 Sr Sr28 1 0.05709400 0.79961700 0.60768800 1.0 Sr Sr29 1 0.55623300 0.30068800 0.60750800 1.0 Sr Sr30 1 0.44838100 0.19925100 0.89162400 1.0 Sr Sr31 1 0.95054100 0.19966100 0.39544100 1.0 Cu Cu32 1 0.00093900 0.99989700 0.99922900 1.0 Cu Cu33 1 0.00413900 0.00383500 0.50600000 1.0 Cu Cu34 1 0.00058100 0.49815100 0.99669900 1.0 Cu Cu35 1 0.00539200 0.50200300 0.50598000 1.0 Cu Cu36 1 0.49958200 0.99920500 0.99702700 1.0 Cu Cu37 1 0.50477700 0.00314100 0.50532900 1.0 Cu Cu38 1 0.49872700 0.49745100 0.99541900 1.0 Cu Cu39 1 0.50399600 0.50219500 0.50630700 1.0 Cu Cu40 1 0.24967200 0.24774200 0.99516100 1.0 Cu Cu41 1 0.25444000 0.25380500 0.50636900 1.0 Cu Cu42 1 0.24983400 0.74741800 0.99656200 1.0 Cu Cu43 1 0.25325700 0.75200800 0.50483600 1.0 Cu Cu44 1 0.74943800 0.24833800 0.99671800 1.0 Cu Cu45 1 0.75568900 0.25203400 0.50541000 1.0 Cu Cu46 1 0.75096100 0.74950600 0.99915800 1.0 Cu Cu47 1 0.75565300 0.75398700 0.50645100 1.0 Cu Cu48 1 0.11316200 0.09914900 0.25268800 1.0 Cu Cu49 1 0.11203600 0.09756400 0.74585500 1.0 Cu Cu50 1 0.11527200 0.59798300 0.25076900 1.0 Cu Cu51 1 0.11564600 0.59043100 0.74848900 1.0 Cu Cu52 1 0.61803500 0.09886500 0.25118000 1.0 Cu Cu53 1 0.61290900 0.09937400 0.75067900 1.0 Cu Cu54 1 0.61639100 0.59866600 0.25067100 1.0 Cu Cu55 1 0.60804700 0.58798400 0.74539000 1.0 Cu Cu56 1 0.36582600 0.40158500 0.25046500 1.0 Cu Cu57 1 0.35806000 0.40300800 0.74745700 1.0 Cu Cu58 1 0.36497300 0.90314900 0.25052700 1.0 Cu Cu59 1 0.35964100 0.90486500 0.74900800 1.0 Cu Cu60 1 0.86601700 0.39877900 0.25126900 1.0 Cu Cu61 1 0.86390300 0.39912400 0.74696000 1.0 Cu Cu62 1 0.86663900 0.90707900 0.25282300 1.0 Cu Cu63 1 0.86519100 0.90621400 0.74669700 1.0 O O64 1 0.12060400 0.13006800 0.49947200 1.0 O O65 1 0.12397700 0.12445900 0.99617300 1.0 O O66 1 0.12720500 0.62544700 0.50338000 1.0 O O67 1 0.12526200 0.61906200 0.99341100 1.0 O O68 1 0.62868500 0.12738400 0.50398500 1.0 O O69 1 0.61962900 0.12570000 0.99466200 1.0 O O70 1 0.62486600 0.62535400 0.49948000 1.0 O O71 1 0.62261000 0.62333700 0.99651400 1.0 O O72 1 0.12701800 0.37516500 0.99695100 1.0 O O73 1 0.12858000 0.37755500 0.50812800 1.0 O O74 1 0.12570400 0.87469300 0.00100200 1.0 O O75 1 0.12583000 0.87592800 0.50719700 1.0 O O76 1 0.62143700 0.37203700 0.99817200 1.0 O O77 1 0.62644000 0.37387600 0.50628200 1.0 O O78 1 0.62568400 0.87543900 0.00141200 1.0 O O79 1 0.63272700 0.88197800 0.50724100 1.0 O O80 1 0.37841700 0.12853000 0.50231500 1.0 O O81 1 0.37462700 0.12471400 0.99274600 1.0 O O82 1 0.37238500 0.62239900 0.50115800 1.0 O O83 1 0.36923500 0.61735600 0.99282900 1.0 O O84 1 0.87832700 0.12708800 0.50032200 1.0 O O85 1 0.87328700 0.12318700 0.99747900 1.0 O O86 1 0.87937100 0.62641000 0.50143000 1.0 O O87 1 0.87377900 0.62288300 0.99697900 1.0 O O88 1 0.37296200 0.37313600 0.99549900 1.0 O O89 1 0.37909300 0.38032700 0.50965400 1.0 O O90 1 0.37500000 0.87607500 0.00073300 1.0 O O91 1 0.37685400 0.87872500 0.50438800 1.0 O O92 1 0.87527800 0.37624700 0.00031200 1.0 O O93 1 0.88382200 0.37333400 0.50506600 1.0 O O94 1 0.87560400 0.87685900 0.00184500 1.0 O O95 1 0.88124800 0.88235100 0.51029200 1.0 O O96 1 0.07125200 0.08277900 0.14612900 1.0 O O97 1 0.06744100 0.09277600 0.64074000 1.0 O O98 1 0.07298300 0.58237900 0.14451700 1.0 O O99 1 0.08253600 0.58744600 0.64457800 1.0 O O100 1 0.57209700 0.08414700 0.14484900 1.0 O O101 1 0.57872100 0.09117300 0.64569500 1.0 O O102 1 0.57198400 0.58161900 0.14417800 1.0 O O103 1 0.56657000 0.58012300 0.64007200 1.0 O O104 1 0.42900600 0.41614900 0.35666500 1.0 O O105 1 0.42293900 0.41073300 0.85331700 1.0 O O106 1 0.42930900 0.91835400 0.35663700 1.0 O O107 1 0.42481400 0.91885300 0.85507300 1.0 O O108 1 0.92921900 0.40693300 0.35649500 1.0 O O109 1 0.93300400 0.41844400 0.85365600 1.0 O O110 1 0.92919500 0.91862200 0.35859100 1.0 O O111 1 0.92837300 0.91873900 0.85249500 1.0 O O112 1 0.32224600 0.31169800 0.14394200 1.0 O O113 1 0.32200100 0.31105200 0.64109500 1.0 O O114 1 0.32211800 0.81092600 0.14442200 1.0 O O115 1 0.32030000 0.80419000 0.64411400 1.0 O O116 1 0.82161500 0.31168600 0.14429400 1.0 O O117 1 0.82730700 0.30201400 0.64155500 1.0 O O118 1 0.82573100 0.81432400 0.14669100 1.0 O O119 1 0.82926400 0.80984800 0.64183800 1.0 O O120 1 0.17710700 0.19117200 0.35931300 1.0 O O121 1 0.18447600 0.19042800 0.85158900 1.0 O O122 1 0.17822500 0.69020000 0.35680900 1.0 O O123 1 0.17882500 0.68463000 0.85435600 1.0 O O124 1 0.68855200 0.18830700 0.35743000 1.0 O O125 1 0.67540500 0.18935100 0.85776500 1.0 O O126 1 0.67981300 0.69055600 0.35667100 1.0 O O127 1 0.67516500 0.68161400 0.85099100 1.0 O O128 1 0.46655900 0.03858700 0.25132400 1.0 O O129 1 0.46129000 0.04789100 0.75687900 1.0 O O130 1 0.46583400 0.53665400 0.25049200 1.0 O O131 1 0.44950200 0.54129200 0.74248600 1.0 O O132 1 0.96208400 0.05289800 0.26013100 1.0 O O133 1 0.95493100 0.04609300 0.74200700 1.0 O O134 1 0.96561400 0.53526500 0.25153300 1.0 O O135 1 0.96135200 0.53744400 0.74779600 1.0 O O136 1 0.21534800 0.46327900 0.25091700 1.0 O O137 1 0.20006400 0.44165600 0.74918000 1.0 O O138 1 0.21374300 0.96442700 0.25105900 1.0 O O139 1 0.19992600 0.95126100 0.73876700 1.0 O O140 1 0.71641400 0.46360200 0.25122800 1.0 O O141 1 0.70462300 0.44774100 0.73987000 1.0 O O142 1 0.71216300 0.95947800 0.24902200 1.0 O O143 1 0.71325100 0.96431000 0.74961900 1.0