# generated using pymatgen data_Sr7CaTi7MnO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.23623963 _cell_length_b 11.36758186 _cell_length_c 17.68398454 _cell_angle_alpha 108.76562918 _cell_angle_beta 108.53107298 _cell_angle_gamma 89.99424321 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr7CaTi7MnO20 _chemical_formula_sum 'Sr28 Ca4 Ti28 Mn4 O80' _cell_volume 2014.63033460 _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 Sr Sr0 1 0.30445066 0.06005642 0.60684332 1.0 Sr Sr1 1 0.30633971 0.55965424 0.60892579 1.0 Sr Sr2 1 0.80295551 0.05574738 0.60767361 1.0 Sr Sr3 1 0.81022361 0.56433838 0.12033298 1.0 Sr Sr4 1 0.80477540 0.56746877 0.60952776 1.0 Sr Sr5 1 0.19049681 0.43747466 0.38182192 1.0 Sr Sr6 1 0.19646147 0.43848426 0.89015799 1.0 Sr Sr7 1 0.19270359 0.93668687 0.38250266 1.0 Sr Sr8 1 0.20127577 0.93731185 0.89527063 1.0 Sr Sr9 1 0.69222470 0.43656015 0.38283633 1.0 Sr Sr10 1 0.69338452 0.43786847 0.89193942 1.0 Sr Sr11 1 0.69077090 0.93735556 0.38021888 1.0 Sr Sr12 1 0.69843504 0.94235895 0.89400371 1.0 Sr Sr13 1 0.06163856 0.31169817 0.12167089 1.0 Sr Sr14 1 0.05636487 0.29928401 0.61003306 1.0 Sr Sr15 1 0.05535924 0.79164013 0.60400053 1.0 Sr Sr16 1 0.56230057 0.30827238 0.12081046 1.0 Sr Sr17 1 0.55176617 0.29883837 0.61086167 1.0 Sr Sr18 1 0.56057923 0.80646239 0.11888042 1.0 Sr Sr19 1 0.55193753 0.79832902 0.60641232 1.0 Sr Sr20 1 0.44411590 0.19601900 0.38428655 1.0 Sr Sr21 1 0.44734584 0.20414233 0.89487504 1.0 Sr Sr22 1 0.44099647 0.69391771 0.37906675 1.0 Sr Sr23 1 0.44822137 0.70266773 0.89270167 1.0 Sr Sr24 1 0.93833186 0.19062806 0.38114799 1.0 Sr Sr25 1 0.94521917 0.19861062 0.89411829 1.0 Sr Sr26 1 0.93910737 0.69169586 0.37845089 1.0 Sr Sr27 1 0.94483641 0.70913349 0.89069396 1.0 Ca Ca28 1 0.31361149 0.06399651 0.11193421 1.0 Ca Ca29 1 0.32030770 0.56748977 0.11301749 1.0 Ca Ca30 1 0.80428876 0.06166314 0.11311690 1.0 Ca Ca31 1 0.06306018 0.79187127 0.10991155 1.0 Ti Ti32 1 0.00790353 0.00534141 0.00770962 1.0 Ti Ti33 1 0.99860738 0.99675594 0.49439206 1.0 Ti Ti34 1 0.00563378 0.50227436 0.00461825 1.0 Ti Ti35 1 0.00046325 0.49753181 0.49959954 1.0 Ti Ti36 1 0.50419344 0.00240111 0.00295538 1.0 Ti Ti37 1 0.49915986 0.99819437 0.49616949 1.0 Ti Ti38 1 0.50301912 0.50113299 0.00070085 1.0 Ti Ti39 1 0.50192215 0.50073558 0.50065938 1.0 Ti Ti40 1 0.25500822 0.25338789 0.00787963 1.0 Ti Ti41 1 0.25148620 0.25009930 0.50034145 1.0 Ti Ti42 1 0.25178357 0.74925026 0.00109610 1.0 Ti Ti43 1 0.25006500 0.74862981 0.49758176 1.0 Ti Ti44 1 0.75464697 0.25018624 0.00485449 1.0 Ti Ti45 1 0.74863828 0.24763995 0.49720240 1.0 Ti Ti46 1 0.75621726 0.75145979 0.00271973 1.0 Ti Ti47 1 0.74900869 0.74970034 0.49601376 1.0 Ti Ti48 1 0.11392898 0.09928085 0.24614382 1.0 Ti Ti49 1 0.10593351 0.08488292 0.75068856 1.0 Ti Ti50 1 0.12096277 0.61159796 0.24896222 1.0 Ti Ti51 1 0.61250038 0.11408087 0.24856290 1.0 Ti Ti52 1 0.60140041 0.09826422 0.75075586 1.0 Ti Ti53 1 0.61969351 0.61971184 0.24852074 1.0 Ti Ti54 1 0.37568585 0.39019230 0.24956519 1.0 Ti Ti55 1 0.36534169 0.88557982 0.24599248 1.0 Ti Ti56 1 0.86640143 0.38553962 0.25006678 1.0 Ti Ti57 1 0.85515726 0.40951782 0.75137471 1.0 Ti Ti58 1 0.86464739 0.88805326 0.24724740 1.0 Ti Ti59 1 0.85550391 0.89552371 0.75087886 1.0 Mn Mn60 1 0.11491864 0.59512955 0.75065732 1.0 Mn Mn61 1 0.60875611 0.61056997 0.75186052 1.0 Mn Mn62 1 0.36038813 0.40607623 0.75093389 1.0 Mn Mn63 1 0.36151926 0.89901588 0.75054959 1.0 O O64 1 0.12274464 0.12216508 0.49293170 1.0 O O65 1 0.12443704 0.12127321 0.99182511 1.0 O O66 1 0.11991828 0.61898424 0.48781930 1.0 O O67 1 0.12110935 0.62223516 0.99260192 1.0 O O68 1 0.62342077 0.12374509 0.49730198 1.0 O O69 1 0.62457299 0.12252221 0.99672784 1.0 O O70 1 0.62166102 0.62123626 0.49165037 1.0 O O71 1 0.62639658 0.62540138 0.99717240 1.0 O O72 1 0.13261907 0.37981800 0.00989020 1.0 O O73 1 0.12726880 0.37424009 0.50229000 1.0 O O74 1 0.13510511 0.88148567 0.01432758 1.0 O O75 1 0.12835208 0.87747193 0.50582104 1.0 O O76 1 0.63389074 0.38042006 0.01269468 1.0 O O77 1 0.63056373 0.37872008 0.50929577 1.0 O O78 1 0.63876835 0.88681818 0.01655192 1.0 O O79 1 0.62701472 0.87737292 0.50432343 1.0 O O80 1 0.37086062 0.11991306 0.49047389 1.0 O O81 1 0.37307337 0.12142045 0.99507233 1.0 O O82 1 0.36941654 0.61828224 0.48602008 1.0 O O83 1 0.37278260 0.62022071 0.99453359 1.0 O O84 1 0.87247106 0.12111183 0.49498901 1.0 O O85 1 0.87545466 0.12148891 0.99889209 1.0 O O86 1 0.87136754 0.61967369 0.49057351 1.0 O O87 1 0.87506846 0.62161971 0.99276825 1.0 O O88 1 0.37998313 0.38109980 0.01119605 1.0 O O89 1 0.37603870 0.37561366 0.49961773 1.0 O O90 1 0.38203324 0.88333056 0.01418125 1.0 O O91 1 0.37614835 0.87648603 0.50205731 1.0 O O92 1 0.88166318 0.37828197 0.00836710 1.0 O O93 1 0.87748610 0.37789793 0.50677116 1.0 O O94 1 0.89014396 0.88465060 0.01826463 1.0 O O95 1 0.87819632 0.87767858 0.50369152 1.0 O O96 1 0.08332605 0.09565122 0.13336271 1.0 O O97 1 0.08001352 0.09183762 0.64304178 1.0 O O98 1 0.06697301 0.58738451 0.12965364 1.0 O O99 1 0.07030868 0.58263212 0.62626985 1.0 O O100 1 0.56150032 0.08531180 0.12952088 1.0 O O101 1 0.56573781 0.07972796 0.63374239 1.0 O O102 1 0.56077847 0.58351798 0.12792269 1.0 O O103 1 0.56101135 0.58186927 0.62339408 1.0 O O104 1 0.44152614 0.41481473 0.36725034 1.0 O O105 1 0.44867372 0.41736252 0.87612342 1.0 O O106 1 0.43479665 0.92457919 0.36788508 1.0 O O107 1 0.44251374 0.91658877 0.87422206 1.0 O O108 1 0.93403976 0.41237259 0.36907968 1.0 O O109 1 0.93782653 0.39827435 0.85840692 1.0 O O110 1 0.93814768 0.92529117 0.36915382 1.0 O O111 1 0.93642463 0.92242027 0.87034562 1.0 O O112 1 0.31319370 0.28664802 0.13070011 1.0 O O113 1 0.32307697 0.29617001 0.62422932 1.0 O O114 1 0.31328238 0.78382353 0.12871293 1.0 O O115 1 0.32076994 0.79424741 0.62682730 1.0 O O116 1 0.81763469 0.28720922 0.13218712 1.0 O O117 1 0.82981746 0.29222078 0.64452594 1.0 O O118 1 0.82255781 0.79321092 0.13113719 1.0 O O119 1 0.81999521 0.80547933 0.63263514 1.0 O O120 1 0.18456288 0.19413858 0.36420500 1.0 O O121 1 0.18989987 0.20028488 0.85771332 1.0 O O122 1 0.18235895 0.70449721 0.36835526 1.0 O O123 1 0.19238830 0.70920196 0.87444370 1.0 O O124 1 0.67832261 0.19553846 0.37187593 1.0 O O125 1 0.68687035 0.19678963 0.86842122 1.0 O O126 1 0.68036526 0.70075952 0.36960838 1.0 O O127 1 0.69597739 0.71506123 0.87906626 1.0 O O128 1 0.45791565 0.02432236 0.24121308 1.0 O O129 1 0.43736870 0.07141717 0.75131118 1.0 O O130 1 0.47496685 0.51635034 0.24152493 1.0 O O131 1 0.42947866 0.57565078 0.75163228 1.0 O O132 1 0.95962834 0.03291190 0.24064205 1.0 O O133 1 0.94352861 0.05365569 0.75164727 1.0 O O134 1 0.98638427 0.50614858 0.24766030 1.0 O O135 1 0.92957302 0.55161428 0.75096920 1.0 O O136 1 0.23370997 0.48200993 0.25066923 1.0 O O137 1 0.17860228 0.42648741 0.75041516 1.0 O O138 1 0.20486676 0.95580409 0.24105282 1.0 O O139 1 0.17482789 0.93676877 0.75016521 1.0 O O140 1 0.73837413 0.49660097 0.24898898 1.0 O O141 1 0.69626189 0.44411639 0.75184485 1.0 O O142 1 0.72643713 0.99021120 0.24977063 1.0 O O143 1 0.69099063 0.95287024 0.75047865 1.0