# generated using pymatgen data_Ba6Sr2CoCu7O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.42294899 _cell_length_b 11.45006961 _cell_length_c 18.06180903 _cell_angle_alpha 108.44644601 _cell_angle_beta 108.41553214 _cell_angle_gamma 90.06382072 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6Sr2CoCu7O20 _chemical_formula_sum 'Ba24 Sr8 Co4 Cu28 O80' _cell_volume 2112.78009813 _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 0.30776900 0.05883100 0.11751400 1.0 Ba Ba1 1 0.30772700 0.05834000 0.62076100 1.0 Ba Ba2 1 0.30747500 0.55165000 0.11903100 1.0 Ba Ba3 1 0.79834100 0.05691800 0.11975700 1.0 Ba Ba4 1 0.80562700 0.55146100 0.11743300 1.0 Ba Ba5 1 0.80562600 0.55263400 0.61603800 1.0 Ba Ba6 1 0.18184600 0.44530700 0.38386600 1.0 Ba Ba7 1 0.18783900 0.95178100 0.38549000 1.0 Ba Ba8 1 0.18196600 0.94392800 0.87848600 1.0 Ba Ba9 1 0.69811200 0.44531000 0.38601200 1.0 Ba Ba10 1 0.68543900 0.44403200 0.88035500 1.0 Ba Ba11 1 0.68995700 0.94879500 0.38435100 1.0 Ba Ba12 1 0.68626800 0.93874000 0.88152300 1.0 Ba Ba13 1 0.06448300 0.31865900 0.11912300 1.0 Ba Ba14 1 0.05610600 0.80778500 0.11707300 1.0 Ba Ba15 1 0.54833800 0.31646900 0.11882800 1.0 Ba Ba16 1 0.54823600 0.81251600 0.11757300 1.0 Ba Ba17 1 0.55409400 0.81189500 0.61868900 1.0 Ba Ba18 1 0.43778700 0.18450900 0.38412000 1.0 Ba Ba19 1 0.44057100 0.69527600 0.38754400 1.0 Ba Ba20 1 0.44029800 0.68942400 0.88205200 1.0 Ba Ba21 1 0.93703300 0.18641400 0.87999300 1.0 Ba Ba22 1 0.93970700 0.68826700 0.38409100 1.0 Ba Ba23 1 0.92970100 0.69073900 0.88051700 1.0 Sr Sr24 1 0.30174000 0.55475200 0.60715100 1.0 Sr Sr25 1 0.80303400 0.05842700 0.61019200 1.0 Sr Sr26 1 0.19500100 0.43999000 0.88935800 1.0 Sr Sr27 1 0.05328200 0.30830300 0.61165400 1.0 Sr Sr28 1 0.05455900 0.80033200 0.60887500 1.0 Sr Sr29 1 0.55184700 0.30120300 0.60702800 1.0 Sr Sr30 1 0.44350700 0.20013800 0.89175500 1.0 Sr Sr31 1 0.94544300 0.19446000 0.39200600 1.0 Co Co32 1 0.00596900 0.01359400 0.00821400 1.0 Co Co33 1 0.99403000 0.49631600 0.99154200 1.0 Co Co34 1 0.48912500 0.99892500 0.99338600 1.0 Co Co35 1 0.74909100 0.75194100 0.01175200 1.0 Cu Cu36 1 0.00203400 0.00632400 0.50921700 1.0 Cu Cu37 1 0.00613200 0.50524200 0.51262600 1.0 Cu Cu38 1 0.50156100 0.00527400 0.50854400 1.0 Cu Cu39 1 0.49226800 0.49571700 0.99533100 1.0 Cu Cu40 1 0.49791400 0.49930200 0.50155300 1.0 Cu Cu41 1 0.24293700 0.24711600 0.99037900 1.0 Cu Cu42 1 0.25234600 0.25620400 0.51174600 1.0 Cu Cu43 1 0.24439100 0.74225600 0.99564100 1.0 Cu Cu44 1 0.24763700 0.75400000 0.50384500 1.0 Cu Cu45 1 0.74296700 0.24939100 0.99879700 1.0 Cu Cu46 1 0.75329900 0.25085400 0.50589800 1.0 Cu Cu47 1 0.75267200 0.75612900 0.50706500 1.0 Cu Cu48 1 0.11485000 0.10457900 0.24517400 1.0 Cu Cu49 1 0.11555800 0.10166600 0.74113600 1.0 Cu Cu50 1 0.12205600 0.60767200 0.25129300 1.0 Cu Cu51 1 0.12256300 0.59779200 0.75692600 1.0 Cu Cu52 1 0.62146500 0.10752300 0.25085300 1.0 Cu Cu53 1 0.62067800 0.11281700 0.75986900 1.0 Cu Cu54 1 0.62509500 0.60791200 0.25258600 1.0 Cu Cu55 1 0.60390300 0.58611700 0.73302200 1.0 Cu Cu56 1 0.38116600 0.40374700 0.26697200 1.0 Cu Cu57 1 0.36185000 0.39844500 0.74948100 1.0 Cu Cu58 1 0.36440200 0.89050200 0.24235300 1.0 Cu Cu59 1 0.36610000 0.90027100 0.75357900 1.0 Cu Cu60 1 0.86613300 0.38358800 0.23841700 1.0 Cu Cu61 1 0.86794300 0.39371200 0.74924100 1.0 Cu Cu62 1 0.86950800 0.89538500 0.24994900 1.0 Cu Cu63 1 0.86513800 0.89858800 0.74093300 1.0 O O64 1 0.11841400 0.13208700 0.49885800 1.0 O O65 1 0.12202600 0.12751800 0.99438600 1.0 O O66 1 0.12096500 0.62504600 0.50256500 1.0 O O67 1 0.10979700 0.61071500 0.99300900 1.0 O O68 1 0.62235300 0.12495700 0.50378100 1.0 O O69 1 0.60433400 0.11168700 0.99461700 1.0 O O70 1 0.62529000 0.62936400 0.49973400 1.0 O O71 1 0.62996100 0.63318800 0.99726200 1.0 O O72 1 0.12970100 0.37202500 0.00033800 1.0 O O73 1 0.12445100 0.38009700 0.50846900 1.0 O O74 1 0.10370300 0.88642700 0.00015600 1.0 O O75 1 0.12412500 0.87793700 0.50968500 1.0 O O76 1 0.61672100 0.37669900 0.00110200 1.0 O O77 1 0.62950300 0.36794500 0.50558400 1.0 O O78 1 0.62088300 0.87245000 0.00370100 1.0 O O79 1 0.62634500 0.88769900 0.51074100 1.0 O O80 1 0.37506000 0.12665100 0.50213200 1.0 O O81 1 0.36298400 0.12860200 0.99062500 1.0 O O82 1 0.36312300 0.62858700 0.50009500 1.0 O O83 1 0.36864000 0.61466400 0.99189900 1.0 O O84 1 0.87314900 0.12594900 0.49863500 1.0 O O85 1 0.87687100 0.10809200 0.99498900 1.0 O O86 1 0.88125400 0.62132700 0.50154300 1.0 O O87 1 0.86578400 0.62091200 0.99354900 1.0 O O88 1 0.36666600 0.37111700 0.99738700 1.0 O O89 1 0.37109700 0.37448300 0.50818900 1.0 O O90 1 0.37728500 0.88941000 0.00140900 1.0 O O91 1 0.37704100 0.88204300 0.50811100 1.0 O O92 1 0.88734100 0.38648400 0.00142500 1.0 O O93 1 0.88438900 0.37713800 0.50741800 1.0 O O94 1 0.85474700 0.86090400 0.00456900 1.0 O O95 1 0.87959500 0.88343100 0.51178000 1.0 O O96 1 0.06169600 0.08594900 0.13331900 1.0 O O97 1 0.06494400 0.09778000 0.63385700 1.0 O O98 1 0.06950600 0.58733500 0.14027300 1.0 O O99 1 0.08533500 0.59472500 0.65001700 1.0 O O100 1 0.56452700 0.09443600 0.14088000 1.0 O O101 1 0.57499400 0.10708700 0.65260400 1.0 O O102 1 0.56606800 0.59025900 0.14123300 1.0 O O103 1 0.55803500 0.57284600 0.62280300 1.0 O O104 1 0.43754800 0.42367100 0.37850800 1.0 O O105 1 0.43150300 0.40942600 0.86051500 1.0 O O106 1 0.42189800 0.90729500 0.35153800 1.0 O O107 1 0.42527800 0.91683700 0.86487800 1.0 O O108 1 0.91892600 0.38067200 0.34261800 1.0 O O109 1 0.93310100 0.41404900 0.86166000 1.0 O O110 1 0.92598100 0.90962800 0.35901500 1.0 O O111 1 0.92405700 0.90510600 0.84834600 1.0 O O112 1 0.32668800 0.30285900 0.16076800 1.0 O O113 1 0.31744700 0.30365600 0.63959900 1.0 O O114 1 0.30880100 0.79660200 0.12867900 1.0 O O115 1 0.32398300 0.79587000 0.64669100 1.0 O O116 1 0.81000300 0.29734300 0.12436100 1.0 O O117 1 0.82951700 0.29485400 0.64046500 1.0 O O118 1 0.82049800 0.79702300 0.13924000 1.0 O O119 1 0.82165600 0.79903900 0.63257600 1.0 O O120 1 0.17566000 0.20087000 0.35293600 1.0 O O121 1 0.18372600 0.20029700 0.84849800 1.0 O O122 1 0.17392500 0.70353100 0.36024100 1.0 O O123 1 0.18251900 0.69693900 0.86875900 1.0 O O124 1 0.68704900 0.19661900 0.36145600 1.0 O O125 1 0.68331400 0.20152400 0.87404200 1.0 O O126 1 0.68321100 0.70297400 0.36327400 1.0 O O127 1 0.66658000 0.68952800 0.83894000 1.0 O O128 1 0.49021900 0.00530800 0.24876600 1.0 O O129 1 0.48205600 0.02871400 0.76256700 1.0 O O130 1 0.49971700 0.50209900 0.25355200 1.0 O O131 1 0.45899800 0.52383600 0.73987000 1.0 O O132 1 0.98623800 0.02003000 0.25747600 1.0 O O133 1 0.97206200 0.02438900 0.74002000 1.0 O O134 1 0.99705800 0.49662200 0.24937300 1.0 O O135 1 0.97576600 0.52110000 0.75090700 1.0 O O136 1 0.24999300 0.50347900 0.25411500 1.0 O O137 1 0.21192200 0.45517600 0.75339500 1.0 O O138 1 0.23615000 0.99195700 0.24629500 1.0 O O139 1 0.21545800 0.96783400 0.73581100 1.0 O O140 1 0.74819900 0.49794700 0.24947000 1.0 O O141 1 0.71578400 0.46088400 0.73675200 1.0 O O142 1 0.73540600 0.98893500 0.24501400 1.0 O O143 1 0.73386200 0.99323600 0.75073000 1.0