# generated using pymatgen data_SrCa3TiMn3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.00674141 _cell_length_b 11.27526392 _cell_length_c 17.24497848 _cell_angle_alpha 108.91948948 _cell_angle_beta 108.53626478 _cell_angle_gamma 89.97779408 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCa3TiMn3O10 _chemical_formula_sum 'Sr8 Ca24 Ti8 Mn24 O80' _cell_volume 1906.89591965 _cell_formula_units_Z 8 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 0.30977400 0.56101900 0.60939000 1.0 Sr Sr1 1 0.80885600 0.06250300 0.60986400 1.0 Sr Sr2 1 0.19358400 0.43738500 0.88905400 1.0 Sr Sr3 1 0.05856300 0.29729900 0.60843100 1.0 Sr Sr4 1 0.05928900 0.79859800 0.60982900 1.0 Sr Sr5 1 0.55845700 0.29989500 0.61003500 1.0 Sr Sr6 1 0.44106200 0.19814000 0.88622500 1.0 Sr Sr7 1 0.94412000 0.20153800 0.38719600 1.0 Ca Ca8 1 0.29933000 0.07051700 0.11232300 1.0 Ca Ca9 1 0.30393100 0.06147000 0.60480400 1.0 Ca Ca10 1 0.30345500 0.56478200 0.11370100 1.0 Ca Ca11 1 0.80473800 0.06728000 0.10882700 1.0 Ca Ca12 1 0.80329600 0.56834600 0.11353500 1.0 Ca Ca13 1 0.80621200 0.56387200 0.60546500 1.0 Ca Ca14 1 0.20004300 0.43477600 0.39321200 1.0 Ca Ca15 1 0.19157200 0.93269700 0.38982200 1.0 Ca Ca16 1 0.19566600 0.93566600 0.89252200 1.0 Ca Ca17 1 0.69918900 0.43597600 0.39238600 1.0 Ca Ca18 1 0.69742400 0.43638200 0.89191600 1.0 Ca Ca19 1 0.69918500 0.93188800 0.39032500 1.0 Ca Ca20 1 0.68938300 0.93258100 0.88753500 1.0 Ca Ca21 1 0.05600500 0.29031500 0.11150200 1.0 Ca Ca22 1 0.05095700 0.79976300 0.11403700 1.0 Ca Ca23 1 0.55287000 0.29362000 0.11234200 1.0 Ca Ca24 1 0.55634100 0.79463200 0.11390000 1.0 Ca Ca25 1 0.55810500 0.79079000 0.60666900 1.0 Ca Ca26 1 0.45129000 0.20940900 0.39076300 1.0 Ca Ca27 1 0.44853900 0.70474700 0.39037800 1.0 Ca Ca28 1 0.44292300 0.70729500 0.89067800 1.0 Ca Ca29 1 0.95074700 0.21107700 0.89242900 1.0 Ca Ca30 1 0.94571200 0.70717000 0.39155800 1.0 Ca Ca31 1 0.94171500 0.70086300 0.88937000 1.0 Ti Ti32 1 0.00106100 0.99731300 0.99550700 1.0 Ti Ti33 1 0.00518100 0.50279000 0.00649400 1.0 Ti Ti34 1 0.50432900 0.00000800 0.00396700 1.0 Ti Ti35 1 0.50413900 0.99694400 0.49668900 1.0 Ti Ti36 1 0.50386500 0.50240400 0.00171500 1.0 Ti Ti37 1 0.25391700 0.75274400 0.00551400 1.0 Ti Ti38 1 0.75157600 0.25074300 0.99894000 1.0 Ti Ti39 1 0.75431200 0.75049000 0.00092700 1.0 Mn Mn40 1 0.00541400 0.99674800 0.49762400 1.0 Mn Mn41 1 0.00426900 0.50062000 0.49691200 1.0 Mn Mn42 1 0.50588800 0.50150000 0.49749700 1.0 Mn Mn43 1 0.25557400 0.25175400 0.00273700 1.0 Mn Mn44 1 0.25512500 0.24527300 0.49645300 1.0 Mn Mn45 1 0.25727700 0.74977800 0.49733100 1.0 Mn Mn46 1 0.75318500 0.25085800 0.49680600 1.0 Mn Mn47 1 0.75446300 0.74753500 0.49700800 1.0 Mn Mn48 1 0.11022000 0.09591700 0.24829300 1.0 Mn Mn49 1 0.10938100 0.09192800 0.75336500 1.0 Mn Mn50 1 0.10958300 0.59166800 0.25208500 1.0 Mn Mn51 1 0.10953100 0.60249100 0.75131200 1.0 Mn Mn52 1 0.60303800 0.09327400 0.24977700 1.0 Mn Mn53 1 0.60845300 0.09215000 0.74767500 1.0 Mn Mn54 1 0.61037900 0.59165700 0.25001100 1.0 Mn Mn55 1 0.61468600 0.60127100 0.75269200 1.0 Mn Mn56 1 0.35565200 0.40286600 0.25018200 1.0 Mn Mn57 1 0.36678700 0.40733700 0.75099000 1.0 Mn Mn58 1 0.35947600 0.90811300 0.25139900 1.0 Mn Mn59 1 0.36546600 0.90331400 0.74924300 1.0 Mn Mn60 1 0.85625400 0.40421300 0.24808400 1.0 Mn Mn61 1 0.85861700 0.40781700 0.75160300 1.0 Mn Mn62 1 0.85711300 0.90431100 0.24778600 1.0 Mn Mn63 1 0.85505700 0.90280500 0.75032600 1.0 O O64 1 0.12709300 0.11557800 0.48858800 1.0 O O65 1 0.12033500 0.11467300 0.99023100 1.0 O O66 1 0.12478500 0.62229800 0.48274300 1.0 O O67 1 0.12401600 0.62584800 0.98833600 1.0 O O68 1 0.62000600 0.11804300 0.48184800 1.0 O O69 1 0.62956500 0.12051200 0.98850000 1.0 O O70 1 0.62221400 0.61934400 0.48302600 1.0 O O71 1 0.62784900 0.62115300 0.98554300 1.0 O O72 1 0.13315500 0.38774100 0.01677000 1.0 O O73 1 0.13582400 0.37300100 0.50378400 1.0 O O74 1 0.14314100 0.88222600 0.01864800 1.0 O O75 1 0.13986800 0.87951100 0.50888800 1.0 O O76 1 0.64241600 0.38069600 0.01793500 1.0 O O77 1 0.63439200 0.38220400 0.50709200 1.0 O O78 1 0.64190600 0.87912700 0.01749000 1.0 O O79 1 0.63423800 0.87613300 0.51079200 1.0 O O80 1 0.37084700 0.11060200 0.48080400 1.0 O O81 1 0.37708500 0.11036400 0.99085800 1.0 O O82 1 0.37396400 0.61821000 0.48337700 1.0 O O83 1 0.37956400 0.62047100 0.98803000 1.0 O O84 1 0.87119100 0.11617500 0.48810500 1.0 O O85 1 0.87504600 0.11560500 0.98728900 1.0 O O86 1 0.86827200 0.61866600 0.48378700 1.0 O O87 1 0.87485900 0.61600700 0.98567700 1.0 O O88 1 0.39361600 0.39316100 0.01909200 1.0 O O89 1 0.38222700 0.37643200 0.50179100 1.0 O O90 1 0.39184400 0.88303300 0.01647500 1.0 O O91 1 0.38853500 0.88361300 0.51280100 1.0 O O92 1 0.88908400 0.38740200 0.01733300 1.0 O O93 1 0.87900600 0.38258000 0.50888300 1.0 O O94 1 0.89228800 0.88615000 0.01850800 1.0 O O95 1 0.88307400 0.87686000 0.50636900 1.0 O O96 1 0.08311200 0.09302100 0.13260900 1.0 O O97 1 0.07521100 0.08063400 0.63296000 1.0 O O98 1 0.08101200 0.60114300 0.12972000 1.0 O O99 1 0.07323900 0.58517900 0.63121500 1.0 O O100 1 0.58685000 0.09589200 0.12772900 1.0 O O101 1 0.57806000 0.08840200 0.62486300 1.0 O O102 1 0.58856000 0.59815200 0.12872700 1.0 O O103 1 0.57669400 0.58939700 0.62716600 1.0 O O104 1 0.44418900 0.40857100 0.36477700 1.0 O O105 1 0.45902100 0.41047700 0.87609000 1.0 O O106 1 0.45388300 0.90002800 0.37002700 1.0 O O107 1 0.46128200 0.90779300 0.87528300 1.0 O O108 1 0.94287900 0.41396300 0.36330200 1.0 O O109 1 0.94824500 0.40939000 0.87179400 1.0 O O110 1 0.95122300 0.90592500 0.36828400 1.0 O O111 1 0.95509000 0.89936100 0.87460600 1.0 O O112 1 0.32770300 0.28973400 0.13299000 1.0 O O113 1 0.32640700 0.28564500 0.62678600 1.0 O O114 1 0.33356500 0.77843900 0.12815000 1.0 O O115 1 0.32722000 0.78779200 0.62656100 1.0 O O116 1 0.83484400 0.28654200 0.13065800 1.0 O O117 1 0.82026300 0.29695500 0.63156900 1.0 O O118 1 0.83474500 0.77815300 0.12719000 1.0 O O119 1 0.82307200 0.78327100 0.62740900 1.0 O O120 1 0.19107100 0.20592900 0.36378600 1.0 O O121 1 0.19441600 0.20896300 0.87315700 1.0 O O122 1 0.20599500 0.71842800 0.36901500 1.0 O O123 1 0.20225700 0.71764700 0.87328200 1.0 O O124 1 0.69356800 0.21742900 0.36906700 1.0 O O125 1 0.70518400 0.21909700 0.87521700 1.0 O O126 1 0.69775300 0.71540500 0.36882400 1.0 O O127 1 0.71272000 0.72376900 0.87581000 1.0 O O128 1 0.41352400 0.08156900 0.24801900 1.0 O O129 1 0.41905100 0.07266800 0.74281000 1.0 O O130 1 0.42131100 0.56429900 0.24815700 1.0 O O131 1 0.43341500 0.58189300 0.75878600 1.0 O O132 1 0.92602600 0.07090300 0.24052200 1.0 O O133 1 0.92942600 0.07798400 0.75982000 1.0 O O134 1 0.92015100 0.56947500 0.24913600 1.0 O O135 1 0.92609200 0.57616700 0.75147200 1.0 O O136 1 0.17262300 0.41591500 0.24904300 1.0 O O137 1 0.18287800 0.44092000 0.75113100 1.0 O O138 1 0.17015400 0.92990400 0.24898600 1.0 O O139 1 0.18377900 0.93280600 0.76029500 1.0 O O140 1 0.67327900 0.41682200 0.24783300 1.0 O O141 1 0.68033500 0.43260500 0.75913700 1.0 O O142 1 0.66993500 0.92233300 0.24902300 1.0 O O143 1 0.66778400 0.91886700 0.75084800 1.0