# generated using pymatgen data_Ca7MgCo7CuO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.65636219 _cell_length_b 11.02252444 _cell_length_c 16.66030023 _cell_angle_alpha 109.19966415 _cell_angle_beta 108.98143116 _cell_angle_gamma 90.32132716 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca7MgCo7CuO20 _chemical_formula_sum 'Ca28 Mg4 Co28 Cu4 O80' _cell_volume 1733.64030928 _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 Ca Ca0 1 0.30212717 0.06237869 0.60964761 1.0 Ca Ca1 1 0.30582151 0.56182665 0.60821417 1.0 Ca Ca2 1 0.80785936 0.06839811 0.60866206 1.0 Ca Ca3 1 0.80469521 0.56542109 0.10687957 1.0 Ca Ca4 1 0.80518678 0.56381572 0.60850371 1.0 Ca Ca5 1 0.19475287 0.43108899 0.38967874 1.0 Ca Ca6 1 0.20487632 0.43868738 0.89177907 1.0 Ca Ca7 1 0.19376470 0.93368822 0.38685880 1.0 Ca Ca8 1 0.20017385 0.93660492 0.89641706 1.0 Ca Ca9 1 0.69617816 0.43567408 0.39170621 1.0 Ca Ca10 1 0.69250225 0.44182066 0.89004433 1.0 Ca Ca11 1 0.69522463 0.93506853 0.38932805 1.0 Ca Ca12 1 0.69493208 0.93694971 0.89428708 1.0 Ca Ca13 1 0.05105433 0.28919979 0.10993266 1.0 Ca Ca14 1 0.05903536 0.29653132 0.60831298 1.0 Ca Ca15 1 0.05673791 0.79051549 0.60808854 1.0 Ca Ca16 1 0.55467217 0.29092248 0.10878428 1.0 Ca Ca17 1 0.55649775 0.30305075 0.61115600 1.0 Ca Ca18 1 0.55708413 0.79138910 0.10655645 1.0 Ca Ca19 1 0.54948858 0.79020177 0.60869638 1.0 Ca Ca20 1 0.44724400 0.20392033 0.38650451 1.0 Ca Ca21 1 0.44552731 0.20701394 0.88892065 1.0 Ca Ca22 1 0.44300452 0.70324425 0.38525571 1.0 Ca Ca23 1 0.44727734 0.69798811 0.88914407 1.0 Ca Ca24 1 0.94740736 0.20329197 0.38842281 1.0 Ca Ca25 1 0.94450599 0.20659737 0.89163805 1.0 Ca Ca26 1 0.94389073 0.70657664 0.38937157 1.0 Ca Ca27 1 0.95104186 0.70686351 0.89816236 1.0 Mg Mg28 1 0.28542695 0.06894332 0.11355439 1.0 Mg Mg29 1 0.29784803 0.56728604 0.10546170 1.0 Mg Mg30 1 0.78589740 0.07336700 0.11247018 1.0 Mg Mg31 1 0.02874430 0.78791405 0.11409456 1.0 Co Co32 1 0.00840905 0.99928184 0.00557434 1.0 Co Co33 1 0.00448653 0.99965162 0.49878189 1.0 Co Co34 1 0.01088330 0.50440379 0.00518090 1.0 Co Co35 1 0.00503487 0.50026025 0.50017445 1.0 Co Co36 1 0.50534517 0.99675647 0.99973653 1.0 Co Co37 1 0.50586416 0.00178875 0.50136217 1.0 Co Co38 1 0.50907377 0.50331663 0.00347922 1.0 Co Co39 1 0.50373012 0.49992572 0.49904928 1.0 Co Co40 1 0.25886084 0.25209701 0.00501194 1.0 Co Co41 1 0.25589473 0.24792901 0.50003632 1.0 Co Co42 1 0.25873336 0.75254347 0.00512657 1.0 Co Co43 1 0.25277927 0.74878588 0.49845925 1.0 Co Co44 1 0.75665965 0.24904404 0.00090472 1.0 Co Co45 1 0.75510994 0.24959667 0.49842417 1.0 Co Co46 1 0.76154899 0.75600223 0.00369372 1.0 Co Co47 1 0.75348168 0.75099873 0.50012161 1.0 Co Co48 1 0.09866537 0.08380496 0.24045773 1.0 Co Co49 1 0.10863373 0.09261471 0.75230991 1.0 Co Co50 1 0.10907052 0.59662654 0.24942962 1.0 Co Co51 1 0.60176375 0.09223906 0.24663119 1.0 Co Co52 1 0.61348899 0.09472687 0.75033520 1.0 Co Co53 1 0.59963746 0.59063647 0.24297444 1.0 Co Co54 1 0.35616393 0.40164039 0.24412993 1.0 Co Co55 1 0.34476454 0.89597804 0.23792669 1.0 Co Co56 1 0.85658120 0.40113476 0.24869422 1.0 Co Co57 1 0.86524078 0.40864939 0.75119713 1.0 Co Co58 1 0.85449011 0.90823539 0.24401812 1.0 Co Co59 1 0.86136200 0.90511682 0.75491971 1.0 Cu Cu60 1 0.10540375 0.59928306 0.75279869 1.0 Cu Cu61 1 0.61470339 0.60754650 0.75509374 1.0 Cu Cu62 1 0.35894091 0.40715843 0.75060137 1.0 Cu Cu63 1 0.35601027 0.90075996 0.74999819 1.0 O O64 1 0.12408286 0.11848758 0.48476338 1.0 O O65 1 0.11787173 0.11479442 0.98506230 1.0 O O66 1 0.11981735 0.61783196 0.48039508 1.0 O O67 1 0.13124184 0.61554180 0.99330878 1.0 O O68 1 0.62089203 0.11843664 0.48106401 1.0 O O69 1 0.61989190 0.11857845 0.98767414 1.0 O O70 1 0.62093914 0.62347253 0.48766836 1.0 O O71 1 0.62349219 0.62224423 0.98519240 1.0 O O72 1 0.15422734 0.38677113 0.02968344 1.0 O O73 1 0.13425968 0.37898293 0.50963498 1.0 O O74 1 0.15274233 0.89199868 0.02739978 1.0 O O75 1 0.13426077 0.87628673 0.51076322 1.0 O O76 1 0.63749189 0.37842078 0.01448203 1.0 O O77 1 0.63666489 0.37813819 0.51226045 1.0 O O78 1 0.65748528 0.89493271 0.02830547 1.0 O O79 1 0.62879104 0.88373887 0.50883695 1.0 O O80 1 0.37677015 0.11147989 0.48627004 1.0 O O81 1 0.37085193 0.12605011 0.98525098 1.0 O O82 1 0.36753698 0.61677252 0.48139615 1.0 O O83 1 0.37630153 0.61985065 0.98789613 1.0 O O84 1 0.87107355 0.11809989 0.48321840 1.0 O O85 1 0.87141153 0.11344188 0.98984862 1.0 O O86 1 0.87084902 0.61572563 0.48436688 1.0 O O87 1 0.87457076 0.62040087 0.98784434 1.0 O O88 1 0.39134761 0.40434760 0.02786588 1.0 O O89 1 0.38172731 0.37484244 0.50459619 1.0 O O90 1 0.39123409 0.89756607 0.02364742 1.0 O O91 1 0.38464961 0.88188235 0.51476730 1.0 O O92 1 0.89569403 0.38738985 0.01681527 1.0 O O93 1 0.88424684 0.38083367 0.51116743 1.0 O O94 1 0.90809197 0.88741733 0.03486065 1.0 O O95 1 0.88155343 0.88155963 0.51039957 1.0 O O96 1 0.10339841 0.10236832 0.13687939 1.0 O O97 1 0.08780290 0.10375972 0.64272094 1.0 O O98 1 0.08879899 0.62323196 0.14406075 1.0 O O99 1 0.08312666 0.59306201 0.63390028 1.0 O O100 1 0.61083204 0.10984999 0.14555498 1.0 O O101 1 0.59514456 0.10779227 0.64057734 1.0 O O102 1 0.59775030 0.60159363 0.13675159 1.0 O O103 1 0.57595677 0.59338093 0.63497340 1.0 O O104 1 0.44622225 0.40133705 0.35639180 1.0 O O105 1 0.44511438 0.40807808 0.87151105 1.0 O O106 1 0.43087037 0.89514681 0.35065270 1.0 O O107 1 0.44687640 0.89662709 0.86677677 1.0 O O108 1 0.94318935 0.39714631 0.36041267 1.0 O O109 1 0.95990631 0.39697056 0.86110115 1.0 O O110 1 0.94544932 0.89720991 0.35301517 1.0 O O111 1 0.94313824 0.90076776 0.87036561 1.0 O O112 1 0.34272754 0.26436270 0.14311636 1.0 O O113 1 0.33475296 0.28750318 0.63367925 1.0 O O114 1 0.34370513 0.76742174 0.13530774 1.0 O O115 1 0.32402562 0.78443818 0.63014702 1.0 O O116 1 0.83839493 0.27259359 0.14266467 1.0 O O117 1 0.83857135 0.29101615 0.63688250 1.0 O O118 1 0.84197253 0.78357580 0.13665712 1.0 O O119 1 0.83973737 0.78838973 0.64559868 1.0 O O120 1 0.18720451 0.19915624 0.35268140 1.0 O O121 1 0.19863400 0.21716380 0.86206233 1.0 O O122 1 0.19481718 0.71333380 0.36194817 1.0 O O123 1 0.19488165 0.71481761 0.87525201 1.0 O O124 1 0.68416398 0.20970724 0.36036403 1.0 O O125 1 0.70318639 0.21751714 0.86034279 1.0 O O126 1 0.68117463 0.71055544 0.35379304 1.0 O O127 1 0.70288382 0.72111477 0.87495937 1.0 O O128 1 0.41198089 0.05912510 0.23401674 1.0 O O129 1 0.43571644 0.06615715 0.75053487 1.0 O O130 1 0.41043720 0.56202739 0.23176174 1.0 O O131 1 0.43411995 0.56816765 0.75021955 1.0 O O132 1 0.91289797 0.06884724 0.23524896 1.0 O O133 1 0.92562594 0.06755812 0.75174061 1.0 O O134 1 0.92723253 0.56250112 0.24728583 1.0 O O135 1 0.92300944 0.57368559 0.75340019 1.0 O O136 1 0.17669581 0.43441156 0.24795934 1.0 O O137 1 0.18193091 0.43740302 0.75042419 1.0 O O138 1 0.15743769 0.91612896 0.23334954 1.0 O O139 1 0.16654272 0.92885868 0.75261676 1.0 O O140 1 0.67567649 0.43334450 0.24911757 1.0 O O141 1 0.69150659 0.43581625 0.75207380 1.0 O O142 1 0.67500735 0.93222049 0.24777691 1.0 O O143 1 0.67841163 0.93166621 0.75149800 1.0