# generated using pymatgen data_Ba2Sr2CoCu3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.25608207 _cell_length_b 11.20550959 _cell_length_c 18.07524654 _cell_angle_alpha 108.21127768 _cell_angle_beta 108.16494579 _cell_angle_gamma 89.61372929 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Sr2CoCu3O10 _chemical_formula_sum 'Ba16 Sr16 Co8 Cu24 O80' _cell_volume 2047.29530981 _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 0.30599286 0.05519035 0.11769583 1.0 Ba Ba1 1 0.30420359 0.05934922 0.61803093 1.0 Ba Ba2 1 0.30501537 0.55722396 0.11582011 1.0 Ba Ba3 1 0.80580864 0.05944871 0.11738747 1.0 Ba Ba4 1 0.80819330 0.55266593 0.11568522 1.0 Ba Ba5 1 0.18935647 0.94640234 0.38717096 1.0 Ba Ba6 1 0.18690474 0.94212360 0.87807116 1.0 Ba Ba7 1 0.68650298 0.43726529 0.87639260 1.0 Ba Ba8 1 0.05378560 0.31331505 0.11906602 1.0 Ba Ba9 1 0.05859050 0.80837783 0.11571978 1.0 Ba Ba10 1 0.55864173 0.31097707 0.11971437 1.0 Ba Ba11 1 0.55448400 0.81057017 0.11709513 1.0 Ba Ba12 1 0.44132199 0.68868159 0.38515684 1.0 Ba Ba13 1 0.43767698 0.69056600 0.87859734 1.0 Ba Ba14 1 0.93852561 0.69018937 0.38582809 1.0 Ba Ba15 1 0.93420053 0.68795523 0.87593733 1.0 Sr Sr16 1 0.30683182 0.55211510 0.60796357 1.0 Sr Sr17 1 0.80804664 0.06027294 0.61033133 1.0 Sr Sr18 1 0.80198896 0.55515631 0.60790427 1.0 Sr Sr19 1 0.19768506 0.44531297 0.39449905 1.0 Sr Sr20 1 0.19176054 0.43842606 0.88523379 1.0 Sr Sr21 1 0.69719491 0.44614471 0.39475458 1.0 Sr Sr22 1 0.69996278 0.94878833 0.39401208 1.0 Sr Sr23 1 0.68993449 0.94411286 0.88454362 1.0 Sr Sr24 1 0.05331570 0.30666773 0.60867920 1.0 Sr Sr25 1 0.05221869 0.79948820 0.60712876 1.0 Sr Sr26 1 0.55840142 0.30753823 0.60906608 1.0 Sr Sr27 1 0.55369106 0.79847336 0.60846294 1.0 Sr Sr28 1 0.45074911 0.19949661 0.39391025 1.0 Sr Sr29 1 0.44097673 0.19365669 0.88876680 1.0 Sr Sr30 1 0.94651808 0.19726753 0.39452799 1.0 Sr Sr31 1 0.94528867 0.19719660 0.88753766 1.0 Co Co32 1 0.99057410 0.99833187 0.99019669 1.0 Co Co33 1 0.99318719 0.49350551 0.98778112 1.0 Co Co34 1 0.49374773 0.99545444 0.98967269 1.0 Co Co35 1 0.50340800 0.00240427 0.50331661 1.0 Co Co36 1 0.49325056 0.49415012 0.99055681 1.0 Co Co37 1 0.24049084 0.74267973 0.98536541 1.0 Co Co38 1 0.74136927 0.24087903 0.98450282 1.0 Co Co39 1 0.74539825 0.74850459 0.99628746 1.0 Cu Cu40 1 0.00084743 0.00378266 0.50544827 1.0 Cu Cu41 1 0.00281226 0.50043886 0.50275930 1.0 Cu Cu42 1 0.50225975 0.50042159 0.50246998 1.0 Cu Cu43 1 0.24615128 0.24764055 0.99462201 1.0 Cu Cu44 1 0.25266429 0.25233615 0.50277941 1.0 Cu Cu45 1 0.25216375 0.75106336 0.50448878 1.0 Cu Cu46 1 0.75274345 0.25217666 0.50203972 1.0 Cu Cu47 1 0.75224450 0.75472757 0.50656719 1.0 Cu Cu48 1 0.11848361 0.10808923 0.25441257 1.0 Cu Cu49 1 0.10894565 0.10124979 0.74749214 1.0 Cu Cu50 1 0.12094222 0.60006760 0.25473822 1.0 Cu Cu51 1 0.11419936 0.59100110 0.74516211 1.0 Cu Cu52 1 0.62062708 0.10619352 0.25703773 1.0 Cu Cu53 1 0.61707220 0.09499153 0.74795047 1.0 Cu Cu54 1 0.61929112 0.60405285 0.25235058 1.0 Cu Cu55 1 0.61476226 0.60228281 0.74678671 1.0 Cu Cu56 1 0.37012148 0.39340178 0.25278017 1.0 Cu Cu57 1 0.36194771 0.39904819 0.74735415 1.0 Cu Cu58 1 0.37487436 0.90600082 0.25827746 1.0 Cu Cu59 1 0.36704283 0.90380136 0.74880049 1.0 Cu Cu60 1 0.87074229 0.39532576 0.25797554 1.0 Cu Cu61 1 0.86684971 0.39400498 0.74411791 1.0 Cu Cu62 1 0.86528030 0.90311974 0.25213665 1.0 Cu Cu63 1 0.85879567 0.90905249 0.74902023 1.0 O O64 1 0.12070202 0.13036465 0.49946665 1.0 O O65 1 0.10929023 0.11619585 0.99503206 1.0 O O66 1 0.12791379 0.62512284 0.50145594 1.0 O O67 1 0.11728005 0.61872272 0.99120174 1.0 O O68 1 0.62673141 0.12708404 0.49762551 1.0 O O69 1 0.61859644 0.11788672 0.98953115 1.0 O O70 1 0.62585954 0.62638066 0.50029754 1.0 O O71 1 0.61125493 0.61397287 0.99509839 1.0 O O72 1 0.11240317 0.38078993 0.99578606 1.0 O O73 1 0.12832637 0.37658162 0.50446086 1.0 O O74 1 0.12913839 0.86397511 0.99653931 1.0 O O75 1 0.12317678 0.87640993 0.50804552 1.0 O O76 1 0.62947439 0.35960721 0.99579731 1.0 O O77 1 0.62768747 0.37801201 0.50552663 1.0 O O78 1 0.61645193 0.88120784 0.99711829 1.0 O O79 1 0.62434526 0.88663703 0.50848966 1.0 O O80 1 0.38494080 0.12115230 0.49989512 1.0 O O81 1 0.38129903 0.11435869 0.99421040 1.0 O O82 1 0.37271646 0.61970052 0.50013808 1.0 O O83 1 0.35729618 0.62891342 0.99297709 1.0 O O84 1 0.87328267 0.12398625 0.49739665 1.0 O O85 1 0.86151248 0.12882631 0.99297173 1.0 O O86 1 0.87095400 0.62368485 0.50087439 1.0 O O87 1 0.87610337 0.61379057 0.99298589 1.0 O O88 1 0.37882750 0.38132885 0.99688723 1.0 O O89 1 0.37868166 0.37597581 0.50429614 1.0 O O90 1 0.37282792 0.87664270 0.99876286 1.0 O O91 1 0.37887944 0.87683452 0.50863906 1.0 O O92 1 0.87370173 0.37308592 0.99608850 1.0 O O93 1 0.87673418 0.37882702 0.50611026 1.0 O O94 1 0.87915314 0.88505495 0.99758943 1.0 O O95 1 0.87360209 0.88142065 0.50820761 1.0 O O96 1 0.06828623 0.08510724 0.14275892 1.0 O O97 1 0.05980935 0.09146378 0.63820884 1.0 O O98 1 0.07616362 0.58422150 0.14516972 1.0 O O99 1 0.08078448 0.58416113 0.63736080 1.0 O O100 1 0.57397968 0.08492277 0.14631107 1.0 O O101 1 0.58076286 0.09149942 0.64048305 1.0 O O102 1 0.57439031 0.57904423 0.14027669 1.0 O O103 1 0.57470438 0.58557242 0.63731507 1.0 O O104 1 0.44239596 0.40865133 0.36257190 1.0 O O105 1 0.42866085 0.41209075 0.86038394 1.0 O O106 1 0.44415489 0.92328148 0.36848890 1.0 O O107 1 0.43328132 0.92240863 0.86024868 1.0 O O108 1 0.94242330 0.41118043 0.36775785 1.0 O O109 1 0.93775001 0.41035613 0.85566314 1.0 O O110 1 0.92698450 0.91915404 0.36242215 1.0 O O111 1 0.92745160 0.92830794 0.86241414 1.0 O O112 1 0.31597141 0.30718736 0.13925471 1.0 O O113 1 0.32071510 0.31004381 0.63651412 1.0 O O114 1 0.32807581 0.81116636 0.14914533 1.0 O O115 1 0.33199796 0.80091944 0.64200689 1.0 O O116 1 0.81935884 0.30905082 0.14730093 1.0 O O117 1 0.82200488 0.29871075 0.63493395 1.0 O O118 1 0.82052221 0.81080457 0.13850797 1.0 O O119 1 0.82662637 0.80527958 0.64153708 1.0 O O120 1 0.19213647 0.20279169 0.36384919 1.0 O O121 1 0.18378712 0.19271792 0.86057471 1.0 O O122 1 0.18132806 0.69484442 0.36380653 1.0 O O123 1 0.17942545 0.68726357 0.85749888 1.0 O O124 1 0.69234005 0.20546773 0.36547591 1.0 O O125 1 0.69493976 0.18669382 0.85932611 1.0 O O126 1 0.67801901 0.70605972 0.35985582 1.0 O O127 1 0.67904330 0.69646144 0.85947217 1.0 O O128 1 0.47009125 0.04995798 0.26114153 1.0 O O129 1 0.46686147 0.05013086 0.75862232 1.0 O O130 1 0.47454564 0.52126643 0.24907302 1.0 O O131 1 0.46118466 0.53086668 0.74107673 1.0 O O132 1 0.97249887 0.04425458 0.26211621 1.0 O O133 1 0.95233808 0.05387076 0.75064357 1.0 O O134 1 0.97400737 0.52134499 0.25050267 1.0 O O135 1 0.95622426 0.53224715 0.73614138 1.0 O O136 1 0.22570144 0.46569795 0.26269135 1.0 O O137 1 0.20396243 0.44369599 0.74862532 1.0 O O138 1 0.22308246 0.97411867 0.25112152 1.0 O O139 1 0.20640002 0.95837852 0.73621601 1.0 O O140 1 0.72571735 0.47122381 0.26450049 1.0 O O141 1 0.71370363 0.46027769 0.74052003 1.0 O O142 1 0.71520650 0.96462706 0.25926661 1.0 O O143 1 0.69599460 0.93802384 0.74540450 1.0