# generated using pymatgen data_SrCaCo2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.76352456 _cell_length_b 11.15966409 _cell_length_c 17.34127336 _cell_angle_alpha 108.74248907 _cell_angle_beta 108.10747473 _cell_angle_gamma 90.00623624 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCaCo2O5 _chemical_formula_sum 'Sr16 Ca16 Co32 O80' _cell_volume 1863.24089144 _cell_formula_units_Z 16 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 0.30785537 0.55957102 0.61050721 1.0 Sr Sr1 1 0.80651064 0.06140240 0.60990877 1.0 Sr Sr2 1 0.80838208 0.56150563 0.61122314 1.0 Sr Sr3 1 0.19545462 0.43669250 0.38633229 1.0 Sr Sr4 1 0.19724639 0.43884700 0.89099654 1.0 Sr Sr5 1 0.69415557 0.43881349 0.38525313 1.0 Sr Sr6 1 0.69595692 0.93308285 0.38536225 1.0 Sr Sr7 1 0.69961008 0.93679222 0.89051432 1.0 Sr Sr8 1 0.06136161 0.29749786 0.61085426 1.0 Sr Sr9 1 0.05757777 0.79983147 0.61035793 1.0 Sr Sr10 1 0.55767828 0.30112572 0.61179821 1.0 Sr Sr11 1 0.55513633 0.79758704 0.60972309 1.0 Sr Sr12 1 0.44374141 0.19937769 0.38582510 1.0 Sr Sr13 1 0.44451107 0.19937551 0.88839619 1.0 Sr Sr14 1 0.94818973 0.19888652 0.38595073 1.0 Sr Sr15 1 0.94874582 0.20219715 0.89039993 1.0 Ca Ca16 1 0.30504050 0.06964353 0.10920461 1.0 Ca Ca17 1 0.30302912 0.06206611 0.60439924 1.0 Ca Ca18 1 0.30259928 0.56532437 0.11133812 1.0 Ca Ca19 1 0.80747592 0.06668078 0.10913956 1.0 Ca Ca20 1 0.80430780 0.56734530 0.11182954 1.0 Ca Ca21 1 0.19679291 0.93241732 0.39073741 1.0 Ca Ca22 1 0.20025635 0.93711335 0.89444503 1.0 Ca Ca23 1 0.69306322 0.43749504 0.89351441 1.0 Ca Ca24 1 0.05694725 0.29334982 0.11013935 1.0 Ca Ca25 1 0.05335812 0.79588601 0.11024445 1.0 Ca Ca26 1 0.54984352 0.29153929 0.10856777 1.0 Ca Ca27 1 0.55316658 0.79027272 0.10761048 1.0 Ca Ca28 1 0.44493858 0.70595766 0.39101679 1.0 Ca Ca29 1 0.44699556 0.70477711 0.89256692 1.0 Ca Ca30 1 0.94661104 0.70697796 0.39091853 1.0 Ca Ca31 1 0.94607184 0.71089838 0.89403646 1.0 Co Co32 1 0.01057359 0.00305371 0.00564770 1.0 Co Co33 1 0.00485781 -0.00146075 0.49861125 1.0 Co Co34 1 0.00601760 0.50387116 0.00358251 1.0 Co Co35 1 0.00199689 0.50047650 0.49656101 1.0 Co Co36 1 0.50661983 0.00169011 0.00573037 1.0 Co Co37 1 0.50223314 -0.00130329 0.49891008 1.0 Co Co38 1 0.50778543 0.50280425 0.00637759 1.0 Co Co39 1 0.50192635 0.49915207 0.49655265 1.0 Co Co40 1 0.25724719 0.25317124 0.00555833 1.0 Co Co41 1 0.25308162 0.24660258 0.49712308 1.0 Co Co42 1 0.25688886 0.75256561 0.00407111 1.0 Co Co43 1 0.25228929 0.74873129 0.49752922 1.0 Co Co44 1 0.75712337 0.25430072 0.00570120 1.0 Co Co45 1 0.75244034 0.24903604 0.49631279 1.0 Co Co46 1 0.75740314 0.75031944 0.00418134 1.0 Co Co47 1 0.75246351 0.74823735 0.49726559 1.0 Co Co48 1 0.10922965 0.08808582 0.24789249 1.0 Co Co49 1 0.11574561 0.09212252 0.75183730 1.0 Co Co50 1 0.10654434 0.59725025 0.24776007 1.0 Co Co51 1 0.11216586 0.60065997 0.75301952 1.0 Co Co52 1 0.60562753 0.08731298 0.24449091 1.0 Co Co53 1 0.60702546 0.09703477 0.74918223 1.0 Co Co54 1 0.60618137 0.59176050 0.24633307 1.0 Co Co55 1 0.61174615 0.59427724 0.75315185 1.0 Co Co56 1 0.35707882 0.40966630 0.24806867 1.0 Co Co57 1 0.36386470 0.40702980 0.75133435 1.0 Co Co58 1 0.35398623 0.89976408 0.24647127 1.0 Co Co59 1 0.35937499 0.90346948 0.75092420 1.0 Co Co60 1 0.85831000 0.40913176 0.24783674 1.0 Co Co61 1 0.86122890 0.41370261 0.75650176 1.0 Co Co62 1 0.85962458 0.90109862 0.24532925 1.0 Co Co63 1 0.86451095 0.90422713 0.75160675 1.0 O O64 1 0.12609876 0.11534806 0.48901280 1.0 O O65 1 0.12951624 0.12538395 0.99367448 1.0 O O66 1 0.12132652 0.62475089 0.48784089 1.0 O O67 1 0.11733067 0.62423900 0.99319518 1.0 O O68 1 0.62923633 0.12836105 0.49234539 1.0 O O69 1 0.62425963 0.11706170 0.99614638 1.0 O O70 1 0.62033747 0.62303080 0.48814467 1.0 O O71 1 0.62171421 0.61822913 0.98533889 1.0 O O72 1 0.14004174 0.38294339 0.02158598 1.0 O O73 1 0.12953044 0.37792232 0.50528309 1.0 O O74 1 0.13427945 0.88764814 0.01289109 1.0 O O75 1 0.13154974 0.87886122 0.50467771 1.0 O O76 1 0.63201063 0.38607835 0.01476653 1.0 O O77 1 0.63063938 0.37939561 0.50536438 1.0 O O78 1 0.64114886 0.87094971 0.01385549 1.0 O O79 1 0.62599474 0.87592765 0.50280638 1.0 O O80 1 0.37186468 0.11199191 0.48937040 1.0 O O81 1 0.36955373 0.11758949 0.99073242 1.0 O O82 1 0.37283469 0.62004367 0.48742200 1.0 O O83 1 0.38166810 0.61554172 0.99344391 1.0 O O84 1 0.87741892 0.11888559 0.49203950 1.0 O O85 1 0.88303190 0.11867661 0.99751028 1.0 O O86 1 0.87420546 0.61942128 0.48837712 1.0 O O87 1 0.86831176 0.62657947 0.98962090 1.0 O O88 1 0.38548374 0.38176603 0.01804279 1.0 O O89 1 0.38116662 0.37660046 0.50514130 1.0 O O90 1 0.39273933 0.88443661 0.01289978 1.0 O O91 1 0.37712835 0.87965931 0.50672383 1.0 O O92 1 0.88571169 0.39369092 0.01393792 1.0 O O93 1 0.87517315 0.37196602 0.50338256 1.0 O O94 1 0.89009586 0.88481688 0.01880097 1.0 O O95 1 0.88109194 0.87758510 0.50396829 1.0 O O96 1 0.09742695 0.10583716 0.14449584 1.0 O O97 1 0.09281621 0.09025124 0.64286686 1.0 O O98 1 0.08473818 0.60744899 0.14117382 1.0 O O99 1 0.07510150 0.58923109 0.64114624 1.0 O O100 1 0.58745289 0.10153642 0.14002747 1.0 O O101 1 0.57963147 0.09268908 0.63962392 1.0 O O102 1 0.58812310 0.60506049 0.14071118 1.0 O O103 1 0.57717694 0.58623957 0.64138391 1.0 O O104 1 0.43397523 0.40851623 0.35728157 1.0 O O105 1 0.44609886 0.40021855 0.85811027 1.0 O O106 1 0.43380900 0.89861492 0.35449400 1.0 O O107 1 0.44510269 0.89753355 0.85912867 1.0 O O108 1 0.93559953 0.41163761 0.35758299 1.0 O O109 1 0.94445572 0.40818754 0.86435526 1.0 O O110 1 0.94036986 0.89920021 0.35329925 1.0 O O111 1 0.94761894 0.90057393 0.86045214 1.0 O O112 1 0.34658604 0.28883326 0.14712275 1.0 O O113 1 0.33032590 0.29549968 0.64149160 1.0 O O114 1 0.33465724 0.78605556 0.13920489 1.0 O O115 1 0.32710596 0.79520034 0.64178236 1.0 O O116 1 0.84506478 0.29138137 0.14471422 1.0 O O117 1 0.83336540 0.30612615 0.64652741 1.0 O O118 1 0.84013283 0.78201145 0.14048570 1.0 O O119 1 0.83000398 0.79793865 0.64178202 1.0 O O120 1 0.18589925 0.19676338 0.35696065 1.0 O O121 1 0.18977767 0.20814111 0.85825943 1.0 O O122 1 0.19140651 0.70506405 0.35640812 1.0 O O123 1 0.20050333 0.71191460 0.86161543 1.0 O O124 1 0.68558453 0.19583275 0.35458550 1.0 O O125 1 0.68535651 0.20943731 0.85809101 1.0 O O126 1 0.69344656 0.69588791 0.35463946 1.0 O O127 1 0.70290814 0.70838083 0.85756444 1.0 O O128 1 0.42538586 0.05538351 0.24051130 1.0 O O129 1 0.42597249 0.05848403 0.74284391 1.0 O O130 1 0.42670549 0.56966125 0.24848663 1.0 O O131 1 0.43596947 0.57009263 0.75816562 1.0 O O132 1 0.92677886 0.05824996 0.24016880 1.0 O O133 1 0.93818399 0.05996419 0.75028247 1.0 O O134 1 0.92737183 0.57045554 0.24900622 1.0 O O135 1 0.93713169 0.57385873 0.76037640 1.0 O O136 1 0.17543338 0.43530065 0.24109603 1.0 O O137 1 0.18837540 0.44441351 0.75203135 1.0 O O138 1 0.17479053 0.92782828 0.24797651 1.0 O O139 1 0.18589261 0.93561939 0.75943403 1.0 O O140 1 0.67430165 0.43019914 0.23901585 1.0 O O141 1 0.68356969 0.43800308 0.75939878 1.0 O O142 1 0.67764255 0.92820833 0.23939594 1.0 O O143 1 0.68857378 0.94347812 0.75153052 1.0