# generated using pymatgen data_BaSr7Ti6Mn2O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.29380353 _cell_length_b 11.39256120 _cell_length_c 17.89230462 _cell_angle_alpha 108.61012361 _cell_angle_beta 108.32626254 _cell_angle_gamma 90.00851235 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr7Ti6Mn2O20 _chemical_formula_sum 'Ba4 Sr28 Ti24 Mn8 O80' _cell_volume 2058.13039015 _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 0.31040300 0.06058500 0.12209300 1.0 Ba Ba1 1 0.31069800 0.56261300 0.11888900 1.0 Ba Ba2 1 0.81108900 0.06376700 0.12249600 1.0 Ba Ba3 1 0.06250100 0.80654600 0.12162600 1.0 Sr Sr4 1 0.30192000 0.05786300 0.60496700 1.0 Sr Sr5 1 0.30651700 0.56164000 0.60869000 1.0 Sr Sr6 1 0.80454400 0.06166400 0.60833600 1.0 Sr Sr7 1 0.80877400 0.55937800 0.11275700 1.0 Sr Sr8 1 0.80510200 0.56157500 0.60975300 1.0 Sr Sr9 1 0.19666800 0.44260000 0.38862300 1.0 Sr Sr10 1 0.19467500 0.43956600 0.88946400 1.0 Sr Sr11 1 0.19142300 0.93299900 0.38255300 1.0 Sr Sr12 1 0.19590100 0.93880100 0.88973700 1.0 Sr Sr13 1 0.69591100 0.44196000 0.38800400 1.0 Sr Sr14 1 0.69520500 0.43762300 0.88733300 1.0 Sr Sr15 1 0.69882300 0.93426500 0.38616300 1.0 Sr Sr16 1 0.69874800 0.93711300 0.89381700 1.0 Sr Sr17 1 0.06008500 0.30534600 0.11220500 1.0 Sr Sr18 1 0.05707900 0.29748600 0.60913900 1.0 Sr Sr19 1 0.05591200 0.80054200 0.60929600 1.0 Sr Sr20 1 0.55504700 0.30587700 0.11360200 1.0 Sr Sr21 1 0.55647500 0.29830100 0.60926300 1.0 Sr Sr22 1 0.55809500 0.79739600 0.11202900 1.0 Sr Sr23 1 0.55455300 0.79206600 0.60422700 1.0 Sr Sr24 1 0.44075300 0.19667500 0.38573300 1.0 Sr Sr25 1 0.44457800 0.20196000 0.89026800 1.0 Sr Sr26 1 0.44652300 0.69271600 0.38527000 1.0 Sr Sr27 1 0.44592100 0.69980100 0.88941300 1.0 Sr Sr28 1 0.94792300 0.20107400 0.38838600 1.0 Sr Sr29 1 0.94431300 0.20375600 0.88808500 1.0 Sr Sr30 1 0.94590800 0.69788800 0.38853700 1.0 Sr Sr31 1 0.94582600 0.69910900 0.89051600 1.0 Ti Ti32 1 0.99755600 0.99797000 0.99276700 1.0 Ti Ti33 1 0.00292500 0.00025000 0.50049100 1.0 Ti Ti34 1 0.99905800 0.49731300 0.99680300 1.0 Ti Ti35 1 0.00567200 0.50350000 0.50555900 1.0 Ti Ti36 1 0.49872200 0.99731300 0.99274900 1.0 Ti Ti37 1 0.49888700 0.99335500 0.48994900 1.0 Ti Ti38 1 0.50127400 0.49646600 0.99486300 1.0 Ti Ti39 1 0.50347500 0.49876500 0.50152300 1.0 Ti Ti40 1 0.24988200 0.24848600 0.99657000 1.0 Ti Ti41 1 0.25349700 0.25180200 0.50260700 1.0 Ti Ti42 1 0.25202700 0.74916000 0.99780400 1.0 Ti Ti43 1 0.25304100 0.74967300 0.50054900 1.0 Ti Ti44 1 0.75595700 0.25451300 0.00670600 1.0 Ti Ti45 1 0.75609200 0.25282600 0.50354800 1.0 Ti Ti46 1 0.75106200 0.74757200 0.99850300 1.0 Ti Ti47 1 0.75408300 0.75039200 0.50137200 1.0 Ti Ti48 1 0.12071300 0.10786100 0.25553700 1.0 Ti Ti49 1 0.11561000 0.60678100 0.25109600 1.0 Ti Ti50 1 0.62030400 0.10283900 0.25425400 1.0 Ti Ti51 1 0.60263500 0.08439900 0.74877800 1.0 Ti Ti52 1 0.62230800 0.60856800 0.25110800 1.0 Ti Ti53 1 0.36653000 0.39377700 0.25194300 1.0 Ti Ti54 1 0.86613100 0.40112500 0.25286200 1.0 Ti Ti55 1 0.86799100 0.88113600 0.25186300 1.0 Mn Mn56 1 0.10549700 0.09399300 0.74873400 1.0 Mn Mn57 1 0.10745400 0.59288900 0.75039500 1.0 Mn Mn58 1 0.60626600 0.59319500 0.74939500 1.0 Mn Mn59 1 0.35476300 0.40871900 0.74850000 1.0 Mn Mn60 1 0.37479200 0.87536800 0.24961600 1.0 Mn Mn61 1 0.35525800 0.89862100 0.74777800 1.0 Mn Mn62 1 0.85728800 0.40980600 0.74921900 1.0 Mn Mn63 1 0.85728100 0.90668900 0.74788900 1.0 O O64 1 0.12257700 0.11853000 0.48755300 1.0 O O65 1 0.12146400 0.12367300 0.99362100 1.0 O O66 1 0.12425200 0.62175500 0.49234200 1.0 O O67 1 0.12486600 0.62434700 0.99480700 1.0 O O68 1 0.62445200 0.12104700 0.49150100 1.0 O O69 1 0.62330800 0.12409500 0.99452100 1.0 O O70 1 0.62200100 0.61957200 0.48919600 1.0 O O71 1 0.62493600 0.62223600 0.99545700 1.0 O O72 1 0.12759700 0.37450600 0.00428900 1.0 O O73 1 0.12978600 0.37677200 0.50518000 1.0 O O74 1 0.12684300 0.87855700 0.00290400 1.0 O O75 1 0.12916900 0.87516700 0.50253900 1.0 O O76 1 0.62950800 0.37524900 0.00379000 1.0 O O77 1 0.62885000 0.37351500 0.50130800 1.0 O O78 1 0.62856900 0.87838600 0.00785000 1.0 O O79 1 0.63114100 0.87919300 0.50857700 1.0 O O80 1 0.37427100 0.11801100 0.49108200 1.0 O O81 1 0.37615800 0.12220000 0.99510600 1.0 O O82 1 0.37452900 0.61991900 0.49144600 1.0 O O83 1 0.37651800 0.62110500 0.99330000 1.0 O O84 1 0.87311900 0.11979100 0.48964600 1.0 O O85 1 0.87375800 0.12366900 0.99416100 1.0 O O86 1 0.87510700 0.62110600 0.49328800 1.0 O O87 1 0.87256100 0.62051800 0.99510100 1.0 O O88 1 0.38239400 0.37662300 0.00542100 1.0 O O89 1 0.38036500 0.37810900 0.50596700 1.0 O O90 1 0.38355100 0.88040700 0.00409800 1.0 O O91 1 0.38233500 0.88021900 0.50665000 1.0 O O92 1 0.87704200 0.37641100 0.00231500 1.0 O O93 1 0.88106300 0.37930400 0.50469300 1.0 O O94 1 0.88001700 0.88087800 0.00664500 1.0 O O95 1 0.88003600 0.87914700 0.50681300 1.0 O O96 1 0.06865300 0.09518300 0.14041500 1.0 O O97 1 0.07322800 0.07921800 0.62334000 1.0 O O98 1 0.06018900 0.56815500 0.13023300 1.0 O O99 1 0.07151700 0.58033200 0.62481900 1.0 O O100 1 0.57391700 0.09786400 0.14177700 1.0 O O101 1 0.58669400 0.09738500 0.64577000 1.0 O O102 1 0.57401700 0.57653400 0.13259900 1.0 O O103 1 0.57165600 0.57864200 0.62343000 1.0 O O104 1 0.43148800 0.41526100 0.36964800 1.0 O O105 1 0.44507900 0.41811600 0.87216900 1.0 O O106 1 0.44761300 0.91562100 0.37711200 1.0 O O107 1 0.44725100 0.92262600 0.87263200 1.0 O O108 1 0.93813900 0.42033100 0.36847600 1.0 O O109 1 0.94577600 0.42204100 0.87277100 1.0 O O110 1 0.93300100 0.91256600 0.37086800 1.0 O O111 1 0.93623800 0.92082200 0.87185100 1.0 O O112 1 0.31597100 0.30705400 0.13151600 1.0 O O113 1 0.31753400 0.29179700 0.62328500 1.0 O O114 1 0.32273800 0.80577200 0.12116400 1.0 O O115 1 0.32047300 0.79582100 0.62410200 1.0 O O116 1 0.81815600 0.31271700 0.13077200 1.0 O O117 1 0.82040100 0.29713300 0.62247500 1.0 O O118 1 0.81380100 0.79851500 0.13135500 1.0 O O119 1 0.81554100 0.79346700 0.62574900 1.0 O O120 1 0.18617500 0.21253900 0.37073300 1.0 O O121 1 0.19702500 0.20265700 0.87349500 1.0 O O122 1 0.18902800 0.69713800 0.37113400 1.0 O O123 1 0.19735200 0.70510600 0.87380300 1.0 O O124 1 0.69922800 0.20923800 0.36575100 1.0 O O125 1 0.68622200 0.19713100 0.85364100 1.0 O O126 1 0.69217300 0.70140500 0.37235300 1.0 O O127 1 0.69363200 0.70531700 0.87487300 1.0 O O128 1 0.48038400 0.04050600 0.26189900 1.0 O O129 1 0.43930200 0.06728000 0.74725700 1.0 O O130 1 0.48010400 0.52038900 0.25788100 1.0 O O131 1 0.42285100 0.57686500 0.74828000 1.0 O O132 1 0.98129000 0.02166000 0.25938600 1.0 O O133 1 0.92297300 0.07411600 0.74803600 1.0 O O134 1 0.96251400 0.53772400 0.25236400 1.0 O O135 1 0.92440700 0.57843000 0.74925200 1.0 O O136 1 0.21349800 0.46874300 0.25135200 1.0 O O137 1 0.17255800 0.42245900 0.74872700 1.0 O O138 1 0.23203600 0.99377300 0.25994700 1.0 O O139 1 0.17720800 0.92687400 0.74930500 1.0 O O140 1 0.71054800 0.45676100 0.25174600 1.0 O O141 1 0.67467500 0.42631500 0.74798900 1.0 O O142 1 0.71823600 0.97034600 0.25010300 1.0 O O143 1 0.66544200 0.93456800 0.74859700 1.0