# generated using pymatgen data_Sr3Ca5TiMn7O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.99893376 _cell_length_b 11.19898197 _cell_length_c 17.46731506 _cell_angle_alpha 108.75052643 _cell_angle_beta 108.35005425 _cell_angle_gamma 90.04036561 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3Ca5TiMn7O20 _chemical_formula_sum 'Sr12 Ca20 Ti4 Mn28 O80' _cell_volume 1921.31048715 _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 0.31133200 0.56101600 0.60987500 1.0 Sr Sr1 1 0.80594400 0.05760600 0.60686700 1.0 Sr Sr2 1 0.80630200 0.56027600 0.60956600 1.0 Sr Sr3 1 0.19795300 0.43812000 0.38830000 1.0 Sr Sr4 1 0.20016500 0.44039600 0.89130200 1.0 Sr Sr5 1 0.69744500 0.93749500 0.38669900 1.0 Sr Sr6 1 0.05835600 0.29667500 0.60765900 1.0 Sr Sr7 1 0.05972700 0.80118200 0.60993600 1.0 Sr Sr8 1 0.55935700 0.29989300 0.60999700 1.0 Sr Sr9 1 0.44692800 0.20326500 0.88856400 1.0 Sr Sr10 1 0.94719700 0.19719900 0.38661200 1.0 Sr Sr11 1 0.94720100 0.20200900 0.88902700 1.0 Ca Ca12 1 0.30625000 0.06701700 0.11113900 1.0 Ca Ca13 1 0.30515600 0.05985900 0.60278700 1.0 Ca Ca14 1 0.31218600 0.56791100 0.11109700 1.0 Ca Ca15 1 0.80517100 0.06856000 0.10972500 1.0 Ca Ca16 1 0.80313500 0.56206400 0.11177500 1.0 Ca Ca17 1 0.19828800 0.93441200 0.39275000 1.0 Ca Ca18 1 0.19467400 0.93661900 0.89202500 1.0 Ca Ca19 1 0.69975500 0.43637100 0.39269500 1.0 Ca Ca20 1 0.69579800 0.43343300 0.89333500 1.0 Ca Ca21 1 0.69798500 0.93745200 0.89048600 1.0 Ca Ca22 1 0.05542000 0.29274300 0.10955200 1.0 Ca Ca23 1 0.05888300 0.79625200 0.11019500 1.0 Ca Ca24 1 0.55498400 0.29607200 0.10998000 1.0 Ca Ca25 1 0.55064900 0.79287300 0.10976800 1.0 Ca Ca26 1 0.55634700 0.79402000 0.60589900 1.0 Ca Ca27 1 0.45020900 0.20674200 0.39280300 1.0 Ca Ca28 1 0.44827000 0.70639100 0.39361900 1.0 Ca Ca29 1 0.44198100 0.70122100 0.89187800 1.0 Ca Ca30 1 0.95151200 0.70638700 0.39293800 1.0 Ca Ca31 1 0.94953000 0.70745200 0.89429200 1.0 Ti Ti32 1 0.00762400 0.00062300 0.00295000 1.0 Ti Ti33 1 0.00737400 0.50571400 0.00619300 1.0 Ti Ti34 1 0.50397000 0.99865600 0.99868000 1.0 Ti Ti35 1 0.75491800 0.74949100 0.00196900 1.0 Mn Mn36 1 0.00558100 0.99592300 0.49703300 1.0 Mn Mn37 1 0.00246100 0.49956700 0.49713300 1.0 Mn Mn38 1 0.50286100 0.99800600 0.49813800 1.0 Mn Mn39 1 0.50685600 0.50092800 0.00309900 1.0 Mn Mn40 1 0.50456700 0.50092200 0.49761900 1.0 Mn Mn41 1 0.25605700 0.25160700 0.00332700 1.0 Mn Mn42 1 0.25446100 0.24761300 0.49624100 1.0 Mn Mn43 1 0.25629100 0.75331200 0.00308100 1.0 Mn Mn44 1 0.25696800 0.75061400 0.49931700 1.0 Mn Mn45 1 0.75636900 0.25082700 0.00268300 1.0 Mn Mn46 1 0.75239000 0.24899300 0.49710100 1.0 Mn Mn47 1 0.75324600 0.74626200 0.49708800 1.0 Mn Mn48 1 0.11101900 0.08984300 0.24744600 1.0 Mn Mn49 1 0.11181700 0.09247700 0.74980900 1.0 Mn Mn50 1 0.11012100 0.59865400 0.24958500 1.0 Mn Mn51 1 0.11125200 0.59921400 0.75026900 1.0 Mn Mn52 1 0.60474800 0.09686800 0.24560200 1.0 Mn Mn53 1 0.60332600 0.09198800 0.74582300 1.0 Mn Mn54 1 0.60967400 0.59317600 0.25151500 1.0 Mn Mn55 1 0.61648900 0.60385700 0.75488700 1.0 Mn Mn56 1 0.36030600 0.40389900 0.24959700 1.0 Mn Mn57 1 0.36536000 0.40347100 0.74995800 1.0 Mn Mn58 1 0.35590700 0.90601000 0.25277100 1.0 Mn Mn59 1 0.36671600 0.90494900 0.75009500 1.0 Mn Mn60 1 0.85632200 0.40688400 0.25112000 1.0 Mn Mn61 1 0.86013600 0.40988500 0.75631100 1.0 Mn Mn62 1 0.86025400 0.89981200 0.24475900 1.0 Mn Mn63 1 0.85929800 0.90050000 0.75040500 1.0 O O64 1 0.12794800 0.11692800 0.49138600 1.0 O O65 1 0.12680000 0.12005100 0.99043100 1.0 O O66 1 0.12121400 0.62406700 0.48897600 1.0 O O67 1 0.12232000 0.62612600 0.99088200 1.0 O O68 1 0.61920400 0.12130600 0.48869900 1.0 O O69 1 0.62740400 0.11707500 0.99196800 1.0 O O70 1 0.62088300 0.61702600 0.48380600 1.0 O O71 1 0.62721900 0.62349400 0.98640700 1.0 O O72 1 0.13492600 0.38478500 0.01619200 1.0 O O73 1 0.13126500 0.37723200 0.50512600 1.0 O O74 1 0.13894800 0.88268100 0.01475800 1.0 O O75 1 0.13734600 0.88022500 0.50765600 1.0 O O76 1 0.63976900 0.37663500 0.01404600 1.0 O O77 1 0.62849200 0.37716100 0.50154400 1.0 O O78 1 0.64113800 0.88129700 0.01831600 1.0 O O79 1 0.62687100 0.87191300 0.50491900 1.0 O O80 1 0.37266200 0.11507500 0.48820800 1.0 O O81 1 0.37479800 0.11300600 0.99003400 1.0 O O82 1 0.37824700 0.62232700 0.48796600 1.0 O O83 1 0.37566800 0.62889500 0.99531800 1.0 O O84 1 0.87626000 0.11816200 0.49270700 1.0 O O85 1 0.87492500 0.11689700 0.99189400 1.0 O O86 1 0.87114400 0.61590300 0.48557700 1.0 O O87 1 0.87374700 0.61587500 0.98438500 1.0 O O88 1 0.38350500 0.38013800 0.01553100 1.0 O O89 1 0.38412700 0.37852000 0.50513500 1.0 O O90 1 0.38880400 0.88381200 0.01409200 1.0 O O91 1 0.38572200 0.88287300 0.51152900 1.0 O O92 1 0.88501900 0.38647700 0.01352100 1.0 O O93 1 0.87871400 0.37934100 0.50302400 1.0 O O94 1 0.89267800 0.88604100 0.01760300 1.0 O O95 1 0.88335400 0.87468200 0.50334400 1.0 O O96 1 0.08566100 0.09442000 0.12846500 1.0 O O97 1 0.07973000 0.07814200 0.63297200 1.0 O O98 1 0.07419700 0.59786300 0.12784700 1.0 O O99 1 0.07026000 0.58338100 0.63286100 1.0 O O100 1 0.57536700 0.09399200 0.12947300 1.0 O O101 1 0.57467000 0.08218300 0.63037000 1.0 O O102 1 0.58332300 0.59550000 0.13806100 1.0 O O103 1 0.57499900 0.59132600 0.63085200 1.0 O O104 1 0.43993500 0.41015400 0.36444200 1.0 O O105 1 0.44432500 0.41318900 0.86519400 1.0 O O106 1 0.43888800 0.90931400 0.36742500 1.0 O O107 1 0.45902200 0.90642900 0.87479300 1.0 O O108 1 0.93900200 0.41575400 0.36539600 1.0 O O109 1 0.94778900 0.41461800 0.87149200 1.0 O O110 1 0.94811800 0.90675300 0.36685400 1.0 O O111 1 0.95180400 0.90844200 0.87458200 1.0 O O112 1 0.33864400 0.28885500 0.14026300 1.0 O O113 1 0.32623900 0.29587700 0.63263400 1.0 O O114 1 0.33248900 0.79354800 0.14196500 1.0 O O115 1 0.32668000 0.79175600 0.62780600 1.0 O O116 1 0.83701100 0.29317300 0.14117900 1.0 O O117 1 0.82256300 0.30960000 0.63964400 1.0 O O118 1 0.83486400 0.77528100 0.12542100 1.0 O O119 1 0.81895400 0.79426800 0.62655400 1.0 O O120 1 0.19495400 0.20074100 0.36777600 1.0 O O121 1 0.18920400 0.20462300 0.86203900 1.0 O O122 1 0.20046300 0.71095400 0.37083500 1.0 O O123 1 0.19886800 0.71157200 0.86194300 1.0 O O124 1 0.68614500 0.19943700 0.36046600 1.0 O O125 1 0.68596900 0.20506000 0.85898000 1.0 O O126 1 0.69394500 0.70092200 0.36670400 1.0 O O127 1 0.70969900 0.72457600 0.87549900 1.0 O O128 1 0.42240100 0.07222900 0.24975600 1.0 O O129 1 0.42301500 0.07690200 0.74230100 1.0 O O130 1 0.42769100 0.57272400 0.24958700 1.0 O O131 1 0.43480000 0.57168300 0.75837500 1.0 O O132 1 0.92385500 0.06810900 0.23987500 1.0 O O133 1 0.93379600 0.06898600 0.74918800 1.0 O O134 1 0.92255700 0.56895600 0.24950600 1.0 O O135 1 0.93843500 0.57655700 0.75956400 1.0 O O136 1 0.18019600 0.42373600 0.24107600 1.0 O O137 1 0.18593500 0.43765900 0.75045900 1.0 O O138 1 0.17629900 0.91582800 0.24941100 1.0 O O139 1 0.18628500 0.93545100 0.75982600 1.0 O O140 1 0.67238900 0.42097900 0.24907000 1.0 O O141 1 0.68621800 0.43239100 0.75993800 1.0 O O142 1 0.67198600 0.93118600 0.24036300 1.0 O O143 1 0.67240500 0.92936500 0.75119400 1.0