# generated using pymatgen data_Sr6La14Mn17(CuO20)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51922059 _cell_length_b 5.51847001 _cell_length_c 55.22452874 _cell_angle_alpha 60.83249064 _cell_angle_beta 60.81226663 _cell_angle_gamma 60.89251545 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr6La14Mn17(CuO20)3 _chemical_formula_sum 'Sr6 La14 Mn17 Cu3 O60' _cell_volume 1212.04065100 _cell_formula_units_Z 1 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 0.25121768 0.25256522 0.02471625 1.0 Sr Sr1 1 0.24773777 0.25080547 0.12520170 1.0 Sr Sr2 1 0.24971441 0.24820798 0.22497137 1.0 Sr Sr3 1 0.25210198 0.25133657 0.32472043 1.0 Sr Sr4 1 0.24932393 0.25157384 0.42462771 1.0 Sr Sr5 1 0.25203993 0.25316161 0.52412202 1.0 La La6 1 0.74773711 0.74916335 0.07524471 1.0 La La7 1 0.75012887 0.75115890 0.17511219 1.0 La La8 1 0.75205256 0.75001866 0.27474828 1.0 La La9 1 0.74889517 0.75050508 0.37468938 1.0 La La10 1 0.25439873 0.24935153 0.62450984 1.0 La La11 1 0.75246588 0.75349986 0.47408801 1.0 La La12 1 0.24783303 0.24964134 0.72506147 1.0 La La13 1 0.75037290 0.74944485 0.57451505 1.0 La La14 1 0.25407723 0.25286106 0.82427119 1.0 La La15 1 0.75465261 0.75588777 0.67336800 1.0 La La16 1 0.24393816 0.23658923 0.92806940 1.0 La La17 1 0.74634650 0.74803795 0.77602591 1.0 La La18 1 0.74819422 0.74560007 0.87582536 1.0 La La19 1 0.74779464 0.74719701 0.97626917 1.0 Mn Mn20 1 0.00074386 0.99581441 0.00050764 1.0 Mn Mn21 1 0.00051566 0.00055182 0.09983038 1.0 Mn Mn22 1 -0.00005274 0.99945389 0.19986492 1.0 Mn Mn23 1 0.50116451 0.49911949 0.05015927 1.0 Mn Mn24 1 -0.00029659 0.00058807 0.29999004 1.0 Mn Mn25 1 0.49902893 0.50027878 0.15002181 1.0 Mn Mn26 1 0.00155106 0.00167288 0.39946457 1.0 Mn Mn27 1 0.50028923 0.49993115 0.24989695 1.0 Mn Mn28 1 -0.00183470 0.00002599 0.50016165 1.0 Mn Mn29 1 0.49998207 0.50236076 0.34976528 1.0 Mn Mn30 1 0.99808140 0.00405410 0.59978704 1.0 Mn Mn31 1 0.50035453 0.49921331 0.45002773 1.0 Mn Mn32 1 0.00137636 -0.00043763 0.69993630 1.0 Mn Mn33 1 0.50206918 0.50149411 0.54949490 1.0 Mn Mn34 1 0.00024569 -0.00039326 0.90002510 1.0 Mn Mn35 1 0.50153862 0.49963084 0.74988988 1.0 Mn Mn36 1 0.49679383 0.50040880 0.85034383 1.0 Cu Cu37 1 -0.00166340 0.99718011 0.80061598 1.0 Cu Cu38 1 0.49798579 0.49877292 0.65061955 1.0 Cu Cu39 1 0.49907070 0.49816082 0.95036501 1.0 O O40 1 0.18853149 0.74997284 0.03109151 1.0 O O41 1 0.31198347 0.19386767 0.07436112 1.0 O O42 1 0.25419146 0.70481559 0.07917297 1.0 O O43 1 0.74953029 0.30943413 0.01905802 1.0 O O44 1 0.19452262 0.75037445 0.13062471 1.0 O O45 1 0.70216499 0.79854207 0.02474327 1.0 O O46 1 0.30703798 0.18926664 0.17525004 1.0 O O47 1 0.79635779 0.25503323 0.06995338 1.0 O O48 1 0.24693817 0.70479760 0.17955875 1.0 O O49 1 0.74878052 0.30595694 0.11933148 1.0 O O50 1 0.19081157 0.75027568 0.23067113 1.0 O O51 1 0.70807971 0.79160757 0.12481053 1.0 O O52 1 0.30809221 0.19315499 0.27491781 1.0 O O53 1 0.79311129 0.24774653 0.17076545 1.0 O O54 1 0.24978996 0.70882973 0.27899895 1.0 O O55 1 0.75186009 0.30746451 0.21906855 1.0 O O56 1 0.19248957 0.74849441 0.33084351 1.0 O O57 1 0.70513690 0.79430796 0.22464691 1.0 O O58 1 0.31059385 0.19308361 0.37459265 1.0 O O59 1 0.79149417 0.25092741 0.27072289 1.0 O O60 1 0.25211733 0.70690804 0.37916921 1.0 O O61 1 0.74920089 0.31096605 0.31914853 1.0 O O62 1 0.19408093 0.75342310 0.43027413 1.0 O O63 1 0.70552477 0.79482396 0.32523452 1.0 O O64 1 0.30503134 0.19089386 0.47560603 1.0 O O65 1 0.79573463 0.25213280 0.37025277 1.0 O O66 1 0.24632806 0.70747250 0.47946259 1.0 O O67 1 0.75198452 0.30459592 0.41908063 1.0 O O68 1 0.18918970 0.74853359 0.53154509 1.0 O O69 1 0.71051854 0.79250965 0.42493556 1.0 O O70 1 0.31141523 0.18845700 0.57597637 1.0 O O71 1 0.79042827 0.24696861 0.47109407 1.0 O O72 1 0.24924290 0.68940369 0.58124924 1.0 O O73 1 0.74613802 0.31382428 0.51915972 1.0 O O74 1 0.18434976 0.75861013 0.63024915 1.0 O O75 1 0.69959235 0.79590933 0.52623509 1.0 O O76 1 0.31005258 0.17232476 0.67671029 1.0 O O77 1 0.79733912 0.24973371 0.57028527 1.0 O O78 1 0.24044376 0.68664363 0.68300790 1.0 O O79 1 0.76128122 0.30715587 0.61807632 1.0 O O80 1 0.17766105 0.75258820 0.73210369 1.0 O O81 1 0.69493106 0.81905844 0.62476710 1.0 O O82 1 0.32410459 0.19110907 0.77375104 1.0 O O83 1 0.82720830 0.23384255 0.66918241 1.0 O O84 1 0.26092706 0.68017225 0.78056522 1.0 O O85 1 0.75225752 0.32072573 0.71770734 1.0 O O86 1 0.18699927 0.73703992 0.83298990 1.0 O O87 1 0.68311649 0.81876433 0.72486953 1.0 O O88 1 0.31796001 0.18207837 0.87435103 1.0 O O89 1 0.80941442 0.25836567 0.76770712 1.0 O O90 1 0.25361420 0.67678191 0.88211053 1.0 O O91 1 0.73716489 0.32436755 0.81936177 1.0 O O92 1 0.17921169 0.76253686 0.93018183 1.0 O O93 1 0.67160755 0.80962030 0.82632767 1.0 O O94 1 0.30498941 0.18055057 0.97490324 1.0 O O95 1 0.82087900 0.25179474 0.86778972 1.0 O O96 1 0.23736349 0.71665547 0.97989740 1.0 O O97 1 0.76231741 0.30510453 0.91758004 1.0 O O98 1 0.69676408 0.82286223 0.92261215 1.0 O O99 1 0.81204915 0.24224856 0.97037992 1.0