# generated using pymatgen data_Sr5Ca3Mn7FeO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.01577440 _cell_length_b 11.11814981 _cell_length_c 17.78810407 _cell_angle_alpha 108.13215491 _cell_angle_beta 108.16558482 _cell_angle_gamma 90.07199031 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5Ca3Mn7FeO20 _chemical_formula_sum 'Sr20 Ca12 Mn28 Fe4 O80' _cell_volume 1955.53477728 _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 0.30793212 0.05747007 0.60810446 1.0 Sr Sr1 1 0.30778206 0.55884528 0.60866615 1.0 Sr Sr2 1 0.80791774 0.05893887 0.60886041 1.0 Sr Sr3 1 0.80895634 0.55859946 0.61036067 1.0 Sr Sr4 1 0.19692418 0.43939399 0.38779736 1.0 Sr Sr5 1 0.19965641 0.44203791 0.89263204 1.0 Sr Sr6 1 0.69761342 0.44028070 0.38857508 1.0 Sr Sr7 1 0.69766377 0.94058047 0.38782149 1.0 Sr Sr8 1 0.70056321 0.94079763 0.89333002 1.0 Sr Sr9 1 0.05887227 0.29996289 0.60915387 1.0 Sr Sr10 1 0.05926303 0.80111659 0.60964730 1.0 Sr Sr11 1 0.55909693 0.30165972 0.61020588 1.0 Sr Sr12 1 0.55866932 0.80051001 0.60955106 1.0 Sr Sr13 1 0.44752725 0.19830666 0.38807473 1.0 Sr Sr14 1 0.45028559 0.20254502 0.89253444 1.0 Sr Sr15 1 0.44733842 0.69865986 0.38813882 1.0 Sr Sr16 1 0.44922679 0.70139299 0.89307020 1.0 Sr Sr17 1 0.94748172 0.19692983 0.38738211 1.0 Sr Sr18 1 0.94994715 0.20086628 0.89254520 1.0 Sr Sr19 1 0.94821045 0.69935588 0.38783160 1.0 Ca Ca20 1 0.30493635 0.06376185 0.10573588 1.0 Ca Ca21 1 0.30622675 0.56373774 0.10577296 1.0 Ca Ca22 1 0.80481218 0.06246838 0.10496698 1.0 Ca Ca23 1 0.80474184 0.56230461 0.10511952 1.0 Ca Ca24 1 0.20052578 0.93886053 0.39291012 1.0 Ca Ca25 1 0.20111910 0.93946506 0.89695312 1.0 Ca Ca26 1 0.70279613 0.44050064 0.89685335 1.0 Ca Ca27 1 0.05642234 0.29207811 0.10631183 1.0 Ca Ca28 1 0.05629523 0.79303658 0.10645224 1.0 Ca Ca29 1 0.55541350 0.29328107 0.10609685 1.0 Ca Ca30 1 0.55523958 0.79247464 0.10600015 1.0 Ca Ca31 1 0.95356475 0.70806803 0.89788752 1.0 Mn Mn32 1 0.00322978 0.99900874 0.49773059 1.0 Mn Mn33 1 0.00287744 0.49980685 0.49915285 1.0 Mn Mn34 1 0.50245616 0.99935913 0.49801474 1.0 Mn Mn35 1 0.50762693 0.50142660 0.00367887 1.0 Mn Mn36 1 0.50322653 0.49944971 0.49893985 1.0 Mn Mn37 1 0.25742313 0.25185156 0.00352987 1.0 Mn Mn38 1 0.25251280 0.24777446 0.49757716 1.0 Mn Mn39 1 0.25646550 0.75316249 0.00398340 1.0 Mn Mn40 1 0.25249396 0.74907491 0.49786683 1.0 Mn Mn41 1 0.75750820 0.25342176 0.00453840 1.0 Mn Mn42 1 0.75311562 0.24973177 0.49901387 1.0 Mn Mn43 1 0.75350321 0.74945417 0.49915440 1.0 Mn Mn44 1 0.10572991 0.09157961 0.24487340 1.0 Mn Mn45 1 0.11205951 0.09546859 0.75255562 1.0 Mn Mn46 1 0.10586485 0.59740528 0.24334599 1.0 Mn Mn47 1 0.10926892 0.60210894 0.75369994 1.0 Mn Mn48 1 0.60481866 0.09262692 0.24327371 1.0 Mn Mn49 1 0.61217645 0.10038957 0.75167837 1.0 Mn Mn50 1 0.60548636 0.59363482 0.24462946 1.0 Mn Mn51 1 0.61533634 0.59756167 0.75479503 1.0 Mn Mn52 1 0.35534036 0.40147794 0.24512983 1.0 Mn Mn53 1 0.36341072 0.40467701 0.75187291 1.0 Mn Mn54 1 0.35277713 0.90240756 0.24671489 1.0 Mn Mn55 1 0.36026131 0.90477671 0.75512529 1.0 Mn Mn56 1 0.85606650 0.40231575 0.24514845 1.0 Mn Mn57 1 0.86125832 0.40862698 0.75711150 1.0 Mn Mn58 1 0.85786384 0.89905519 0.24334727 1.0 Mn Mn59 1 0.86548730 0.90045842 0.75356658 1.0 Fe Fe60 1 0.00822384 0.00102459 0.00376995 1.0 Fe Fe61 1 0.00652559 0.50145788 0.00289601 1.0 Fe Fe62 1 0.50588053 0.00218172 0.00414299 1.0 Fe Fe63 1 0.75734544 0.75018820 0.00303977 1.0 O O64 1 0.12554314 0.11858643 0.49068560 1.0 O O65 1 0.12866700 0.12038372 0.99344398 1.0 O O66 1 0.12465664 0.62260028 0.49357984 1.0 O O67 1 0.12531803 0.62775689 0.99364017 1.0 O O68 1 0.62482831 0.12340081 0.49460481 1.0 O O69 1 0.62919073 0.12702211 0.99709909 1.0 O O70 1 0.62535162 0.62313201 0.49466617 1.0 O O71 1 0.62763827 0.61808239 0.99411745 1.0 O O72 1 0.13830695 0.37940192 0.01470429 1.0 O O73 1 0.12922112 0.37590316 0.50372871 1.0 O O74 1 0.13585239 0.87915171 0.01187359 1.0 O O75 1 0.12982277 0.87664901 0.50094757 1.0 O O76 1 0.63833103 0.38136656 0.01415602 1.0 O O77 1 0.62944936 0.37664193 0.50343070 1.0 O O78 1 0.63514416 0.87954215 0.01441088 1.0 O O79 1 0.62948250 0.87659288 0.50364471 1.0 O O80 1 0.37113460 0.11680138 0.49004219 1.0 O O81 1 0.37308585 0.12125787 0.99395275 1.0 O O82 1 0.37511789 0.62150946 0.49430242 1.0 O O83 1 0.37702417 0.62462664 0.99744576 1.0 O O84 1 0.87595162 0.12218230 0.49493843 1.0 O O85 1 0.87782002 0.12284324 0.99679285 1.0 O O86 1 0.87516006 0.62180364 0.49401101 1.0 O O87 1 0.87451646 0.61762349 0.99008740 1.0 O O88 1 0.38853283 0.38485975 0.01540259 1.0 O O89 1 0.37966593 0.37618683 0.50344491 1.0 O O90 1 0.38264847 0.88358694 0.01394328 1.0 O O91 1 0.37774027 0.87720882 0.50165060 1.0 O O92 1 0.88430206 0.38197638 0.01360643 1.0 O O93 1 0.87953524 0.37714681 0.50348768 1.0 O O94 1 0.88780366 0.88118080 0.01303610 1.0 O O95 1 0.87984685 0.87729072 0.50304615 1.0 O O96 1 0.08519501 0.09183515 0.13448601 1.0 O O97 1 0.08000573 0.08096631 0.63943967 1.0 O O98 1 0.08019134 0.59409082 0.13186034 1.0 O O99 1 0.07276958 0.58348242 0.63919691 1.0 O O100 1 0.57867114 0.09454482 0.13294473 1.0 O O101 1 0.57451075 0.08300438 0.63755081 1.0 O O102 1 0.58399825 0.59775265 0.13673982 1.0 O O103 1 0.58023555 0.58236994 0.64138061 1.0 O O104 1 0.43434702 0.41899680 0.35895880 1.0 O O105 1 0.44431448 0.41602775 0.86541641 1.0 O O106 1 0.43584837 0.91881894 0.35991662 1.0 O O107 1 0.44423427 0.91910067 0.87028485 1.0 O O108 1 0.93429273 0.41862450 0.35887896 1.0 O O109 1 0.94567196 0.41445525 0.86994648 1.0 O O110 1 0.93617970 0.91879275 0.35757148 1.0 O O111 1 0.94685436 0.91037412 0.86857595 1.0 O O112 1 0.33422212 0.28888068 0.13818961 1.0 O O113 1 0.32637714 0.30359304 0.63880643 1.0 O O114 1 0.32792178 0.79083432 0.13777004 1.0 O O115 1 0.32349439 0.80703980 0.64138738 1.0 O O116 1 0.83341550 0.29030273 0.13732627 1.0 O O117 1 0.82683249 0.31121022 0.64335299 1.0 O O118 1 0.83332040 0.78672979 0.13325746 1.0 O O119 1 0.82729388 0.80484101 0.63999240 1.0 O O120 1 0.18249711 0.19278182 0.35748052 1.0 O O121 1 0.19143727 0.20411543 0.86317510 1.0 O O122 1 0.18334369 0.69718241 0.35698317 1.0 O O123 1 0.19242106 0.70914306 0.86609835 1.0 O O124 1 0.68276937 0.18879978 0.35721782 1.0 O O125 1 0.69013350 0.20833420 0.86481614 1.0 O O126 1 0.68393786 0.69032976 0.35833255 1.0 O O127 1 0.69532443 0.70350190 0.86839887 1.0 O O128 1 0.42838713 0.06208319 0.24001530 1.0 O O129 1 0.44048206 0.06417291 0.75220145 1.0 O O130 1 0.42950039 0.56487795 0.23978541 1.0 O O131 1 0.44121755 0.56816399 0.75190111 1.0 O O132 1 0.92867118 0.06454505 0.23859504 1.0 O O133 1 0.94037291 0.06537336 0.75188752 1.0 O O134 1 0.93049287 0.56427861 0.23986102 1.0 O O135 1 0.93828683 0.57673559 0.76094418 1.0 O O136 1 0.17954367 0.42760954 0.23987158 1.0 O O137 1 0.19095008 0.44029927 0.75239085 1.0 O O138 1 0.17745828 0.92264280 0.24724922 1.0 O O139 1 0.18855336 0.93170370 0.75994751 1.0 O O140 1 0.67970399 0.42544380 0.23988182 1.0 O O141 1 0.68817266 0.43124672 0.75998713 1.0 O O142 1 0.68122857 0.92594279 0.23939476 1.0 O O143 1 0.69358338 0.93849163 0.75318722 1.0