# generated using pymatgen data_BaSr7Ti5Mn3O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.27344039 _cell_length_b 11.45050761 _cell_length_c 18.03916757 _cell_angle_alpha 108.72217613 _cell_angle_beta 108.14421007 _cell_angle_gamma 89.73795273 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr7Ti5Mn3O20 _chemical_formula_sum 'Ba4 Sr28 Ti20 Mn12 O80' _cell_volume 2083.93416720 _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 Ba Ba0 1 0.30825900 0.06227300 0.11587700 1.0 Ba Ba1 1 0.31488400 0.56082200 0.11696800 1.0 Ba Ba2 1 0.81042700 0.06689200 0.11708700 1.0 Ba Ba3 1 0.05813600 0.80145200 0.11270500 1.0 Sr Sr4 1 0.30686200 0.06180300 0.61010500 1.0 Sr Sr5 1 0.31302500 0.55902600 0.61122200 1.0 Sr Sr6 1 0.80711500 0.06384600 0.60773100 1.0 Sr Sr7 1 0.80501800 0.55952400 0.10752900 1.0 Sr Sr8 1 0.80306000 0.55816200 0.61105500 1.0 Sr Sr9 1 0.20083300 0.44026200 0.39344600 1.0 Sr Sr10 1 0.19827200 0.43757400 0.88884400 1.0 Sr Sr11 1 0.20147900 0.93470300 0.39464400 1.0 Sr Sr12 1 0.20417200 0.93823800 0.89002500 1.0 Sr Sr13 1 0.70009600 0.43708400 0.39578100 1.0 Sr Sr14 1 0.69639500 0.44215300 0.88597900 1.0 Sr Sr15 1 0.69846500 0.93839600 0.38800500 1.0 Sr Sr16 1 0.68988800 0.93489900 0.88869400 1.0 Sr Sr17 1 0.05602800 0.29657500 0.10653200 1.0 Sr Sr18 1 0.05362000 0.29443400 0.61027800 1.0 Sr Sr19 1 0.05775400 0.80608200 0.61228100 1.0 Sr Sr20 1 0.55227600 0.29352000 0.10294500 1.0 Sr Sr21 1 0.56094400 0.29630000 0.60877700 1.0 Sr Sr22 1 0.56139000 0.79951000 0.11157100 1.0 Sr Sr23 1 0.56038300 0.79848000 0.60988900 1.0 Sr Sr24 1 0.44831200 0.20401800 0.39333300 1.0 Sr Sr25 1 0.44204200 0.19418200 0.88731600 1.0 Sr Sr26 1 0.44962200 0.69951300 0.39108300 1.0 Sr Sr27 1 0.44898400 0.70515600 0.88976800 1.0 Sr Sr28 1 0.94686700 0.20807000 0.39313400 1.0 Sr Sr29 1 0.95059300 0.19856300 0.88664300 1.0 Sr Sr30 1 0.94829100 0.70330500 0.39329500 1.0 Sr Sr31 1 0.94539300 0.69779800 0.88837400 1.0 Ti Ti32 1 0.99484400 0.99010900 0.98179400 1.0 Ti Ti33 1 0.00327000 0.99970100 0.49844200 1.0 Ti Ti34 1 0.99709500 0.49098600 0.98578200 1.0 Ti Ti35 1 0.00967100 0.50831800 0.51111200 1.0 Ti Ti36 1 0.50308600 0.99889300 0.00089400 1.0 Ti Ti37 1 0.50564900 0.99874700 0.49877100 1.0 Ti Ti38 1 0.49834600 0.49162500 0.98505000 1.0 Ti Ti39 1 0.50414900 0.49924800 0.49978600 1.0 Ti Ti40 1 0.25237600 0.24887900 0.99775800 1.0 Ti Ti41 1 0.25908200 0.25298600 0.50843200 1.0 Ti Ti42 1 0.25552900 0.74913300 0.99768100 1.0 Ti Ti43 1 0.26237400 0.75468300 0.51386900 1.0 Ti Ti44 1 0.74769600 0.24783800 0.98864300 1.0 Ti Ti45 1 0.75306300 0.24759400 0.49822600 1.0 Ti Ti46 1 0.75102700 0.74896400 0.99839400 1.0 Ti Ti47 1 0.76012000 0.75366700 0.50855800 1.0 Ti Ti48 1 0.11546800 0.09400400 0.25980200 1.0 Ti Ti49 1 0.10861900 0.58232700 0.24989200 1.0 Ti Ti50 1 0.63124500 0.58375900 0.25443800 1.0 Ti Ti51 1 0.83798100 0.42104600 0.25056400 1.0 Mn Mn52 1 0.10896400 0.09410500 0.74870800 1.0 Mn Mn53 1 0.10959400 0.59297100 0.75152700 1.0 Mn Mn54 1 0.61419300 0.10071000 0.25214600 1.0 Mn Mn55 1 0.60657600 0.09125300 0.74643900 1.0 Mn Mn56 1 0.60836900 0.59374400 0.74862800 1.0 Mn Mn57 1 0.36939200 0.39664400 0.25194000 1.0 Mn Mn58 1 0.35587400 0.40895100 0.74833100 1.0 Mn Mn59 1 0.37318200 0.90634500 0.25358800 1.0 Mn Mn60 1 0.36042700 0.90899200 0.75240500 1.0 Mn Mn61 1 0.85688500 0.40499500 0.74524400 1.0 Mn Mn62 1 0.85981400 0.89388200 0.25200300 1.0 Mn Mn63 1 0.85420300 0.90960500 0.74640700 1.0 O O64 1 0.12605600 0.12370200 0.49014900 1.0 O O65 1 0.12024700 0.12180100 0.99138700 1.0 O O66 1 0.12607500 0.62190800 0.49012000 1.0 O O67 1 0.12257300 0.61819100 0.99139700 1.0 O O68 1 0.62581800 0.12109200 0.49127800 1.0 O O69 1 0.62698700 0.12807700 0.99249300 1.0 O O70 1 0.62711700 0.62285600 0.49070000 1.0 O O71 1 0.62426500 0.61946000 0.99224300 1.0 O O72 1 0.12739400 0.37726400 0.00486100 1.0 O O73 1 0.13050100 0.37739200 0.50332500 1.0 O O74 1 0.12618000 0.87862900 0.00232200 1.0 O O75 1 0.13609200 0.87307100 0.50629400 1.0 O O76 1 0.63250900 0.37975600 0.00589400 1.0 O O77 1 0.63242700 0.37774300 0.50695400 1.0 O O78 1 0.63138700 0.87471100 0.00568100 1.0 O O79 1 0.63508000 0.87346200 0.50564400 1.0 O O80 1 0.37234300 0.12019800 0.49068900 1.0 O O81 1 0.37378200 0.12160700 0.99137400 1.0 O O82 1 0.37278400 0.62154700 0.49100300 1.0 O O83 1 0.37976200 0.61819300 0.99328300 1.0 O O84 1 0.87747900 0.11819900 0.49176600 1.0 O O85 1 0.87724500 0.12395200 0.99484100 1.0 O O86 1 0.87743300 0.62109600 0.49303800 1.0 O O87 1 0.87532600 0.61566300 0.99201300 1.0 O O88 1 0.38456400 0.37864400 0.00327900 1.0 O O89 1 0.38184000 0.37975000 0.50849200 1.0 O O90 1 0.38300600 0.87683100 0.00375300 1.0 O O91 1 0.38078700 0.87509400 0.50682500 1.0 O O92 1 0.88326900 0.38022100 0.00699600 1.0 O O93 1 0.88675000 0.38460200 0.50801300 1.0 O O94 1 0.88085900 0.88149800 0.00244600 1.0 O O95 1 0.88323000 0.87840600 0.50767700 1.0 O O96 1 0.08678300 0.11197300 0.15837300 1.0 O O97 1 0.07510400 0.07740000 0.62334400 1.0 O O98 1 0.08004400 0.59078900 0.14601800 1.0 O O99 1 0.07618700 0.58483000 0.62608000 1.0 O O100 1 0.56799600 0.08033700 0.12339600 1.0 O O101 1 0.57037700 0.07762300 0.62211900 1.0 O O102 1 0.59538000 0.60061500 0.15161100 1.0 O O103 1 0.57006500 0.58274400 0.62397200 1.0 O O104 1 0.44228000 0.41800500 0.37598600 1.0 O O105 1 0.44716700 0.41490400 0.87041100 1.0 O O106 1 0.44778800 0.91325100 0.37530900 1.0 O O107 1 0.44919800 0.92299500 0.87512700 1.0 O O108 1 0.92707900 0.41400300 0.35620400 1.0 O O109 1 0.94295400 0.41611700 0.87075000 1.0 O O110 1 0.94929700 0.91324000 0.37512500 1.0 O O111 1 0.94349000 0.91824100 0.86876600 1.0 O O112 1 0.31789400 0.30434600 0.12420000 1.0 O O113 1 0.32030400 0.29510300 0.62472900 1.0 O O114 1 0.32256000 0.80336000 0.12582800 1.0 O O115 1 0.32266600 0.79252200 0.62769600 1.0 O O116 1 0.81903700 0.31934100 0.14068200 1.0 O O117 1 0.82307800 0.29439000 0.62287000 1.0 O O118 1 0.81847800 0.79406900 0.12525600 1.0 O O119 1 0.82243700 0.79158400 0.62522300 1.0 O O120 1 0.19574200 0.21246100 0.36091700 1.0 O O121 1 0.19345200 0.20577900 0.87409300 1.0 O O122 1 0.19376600 0.70275200 0.34882900 1.0 O O123 1 0.19816800 0.70288100 0.87591000 1.0 O O124 1 0.70537200 0.20818200 0.37718800 1.0 O O125 1 0.69713500 0.20694700 0.87326500 1.0 O O126 1 0.70325600 0.70403000 0.35811500 1.0 O O127 1 0.69670800 0.70104000 0.87462800 1.0 O O128 1 0.44098100 0.07471400 0.26034000 1.0 O O129 1 0.42552400 0.07417700 0.74816600 1.0 O O130 1 0.46585100 0.55582000 0.26001500 1.0 O O131 1 0.42576600 0.57506500 0.75029400 1.0 O O132 1 0.95814000 0.05873500 0.26143000 1.0 O O133 1 0.92426200 0.07443900 0.74665400 1.0 O O134 1 0.94880600 0.55880400 0.25287600 1.0 O O135 1 0.92661000 0.57422100 0.74931500 1.0 O O136 1 0.18270000 0.43940300 0.25039300 1.0 O O137 1 0.17432100 0.42339100 0.74871300 1.0 O O138 1 0.19277100 0.95319400 0.26008700 1.0 O O139 1 0.17758200 0.92630000 0.75079700 1.0 O O140 1 0.66586000 0.41065200 0.24949000 1.0 O O141 1 0.67566400 0.42435800 0.74710100 1.0 O O142 1 0.68342000 0.93398600 0.24992700 1.0 O O143 1 0.67428600 0.92495300 0.74998700 1.0