# generated using pymatgen data_Sr6Ca2MnFe7O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.13740977 _cell_length_b 11.46235849 _cell_length_c 17.50850547 _cell_angle_alpha 109.03240415 _cell_angle_beta 108.68104413 _cell_angle_gamma 89.96043114 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr6Ca2MnFe7O20 _chemical_formula_sum 'Sr24 Ca8 Mn4 Fe28 O80' _cell_volume 1988.16691060 _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 0.30624400 0.06160900 0.60911000 1.0 Sr Sr1 1 0.30669500 0.55926800 0.60856700 1.0 Sr Sr2 1 0.80755400 0.06546000 0.60996800 1.0 Sr Sr3 1 0.80885000 0.56191200 0.61007400 1.0 Sr Sr4 1 0.19524800 0.43422300 0.38895200 1.0 Sr Sr5 1 0.19758600 0.43838700 0.89149000 1.0 Sr Sr6 1 0.19548900 0.93573800 0.38805400 1.0 Sr Sr7 1 0.69576900 0.43510200 0.38858700 1.0 Sr Sr8 1 0.69931100 0.44080500 0.89217000 1.0 Sr Sr9 1 0.69594600 0.93487000 0.38922400 1.0 Sr Sr10 1 0.69961100 0.93775400 0.89463700 1.0 Sr Sr11 1 0.05586000 0.29378100 0.10993300 1.0 Sr Sr12 1 0.05865700 0.29777300 0.61062300 1.0 Sr Sr13 1 0.05650200 0.79550700 0.60906800 1.0 Sr Sr14 1 0.55729300 0.29919000 0.60939400 1.0 Sr Sr15 1 0.55459700 0.79403900 0.10989800 1.0 Sr Sr16 1 0.55612400 0.79539900 0.60729200 1.0 Sr Sr17 1 0.44504300 0.20308300 0.38714200 1.0 Sr Sr18 1 0.44734400 0.20366900 0.89259700 1.0 Sr Sr19 1 0.44423300 0.70304200 0.38683400 1.0 Sr Sr20 1 0.44859200 0.70225000 0.89385500 1.0 Sr Sr21 1 0.94498300 0.20365400 0.38723500 1.0 Sr Sr22 1 0.94842700 0.20616600 0.89298100 1.0 Sr Sr23 1 0.94523000 0.70233300 0.38708100 1.0 Ca Ca24 1 0.30238000 0.06621700 0.10465300 1.0 Ca Ca25 1 0.30195800 0.56708000 0.10471600 1.0 Ca Ca26 1 0.80132700 0.06649100 0.10510400 1.0 Ca Ca27 1 0.80166800 0.56798800 0.10503800 1.0 Ca Ca28 1 0.20063600 0.93507800 0.89874500 1.0 Ca Ca29 1 0.05417900 0.78682100 0.10466700 1.0 Ca Ca30 1 0.55376100 0.28808400 0.10546600 1.0 Ca Ca31 1 0.95361600 0.71179100 0.89750900 1.0 Mn Mn32 1 0.11136300 0.60170700 0.75360200 1.0 Mn Mn33 1 0.61462400 0.60112500 0.75192600 1.0 Mn Mn34 1 0.36526300 0.40729900 0.75217200 1.0 Mn Mn35 1 0.35861200 0.90315600 0.75335800 1.0 Fe Fe36 1 0.00811100 0.00058100 0.00445900 1.0 Fe Fe37 1 0.00340300 0.99935600 0.49846300 1.0 Fe Fe38 1 0.00652600 0.50274200 0.00320900 1.0 Fe Fe39 1 0.00301800 0.49998700 0.49997200 1.0 Fe Fe40 1 0.50571100 0.00287400 0.00407700 1.0 Fe Fe41 1 0.50345600 0.00075000 0.49923200 1.0 Fe Fe42 1 0.50672400 0.50049600 0.00459600 1.0 Fe Fe43 1 0.50372500 0.49984700 0.49957800 1.0 Fe Fe44 1 0.25775500 0.25214700 0.00461700 1.0 Fe Fe45 1 0.25354100 0.24927000 0.50028700 1.0 Fe Fe46 1 0.25449700 0.75149000 0.00252800 1.0 Fe Fe47 1 0.25209400 0.74970500 0.49906200 1.0 Fe Fe48 1 0.75646700 0.25366900 0.00534600 1.0 Fe Fe49 1 0.75417100 0.25013000 0.49974400 1.0 Fe Fe50 1 0.75790300 0.75162600 0.00350600 1.0 Fe Fe51 1 0.75377200 0.74878000 0.49939400 1.0 Fe Fe52 1 0.10281600 0.08359700 0.24384700 1.0 Fe Fe53 1 0.11119600 0.08399400 0.75409800 1.0 Fe Fe54 1 0.10409700 0.59081700 0.24610800 1.0 Fe Fe55 1 0.60382900 0.09049000 0.24616700 1.0 Fe Fe56 1 0.61147700 0.08912100 0.75162400 1.0 Fe Fe57 1 0.60312700 0.58417800 0.24493400 1.0 Fe Fe58 1 0.35667100 0.40941900 0.24590600 1.0 Fe Fe59 1 0.35083300 0.90807800 0.24443500 1.0 Fe Fe60 1 0.85104400 0.40811700 0.24429400 1.0 Fe Fe61 1 0.86255900 0.41785400 0.75371900 1.0 Fe Fe62 1 0.85701800 0.90962500 0.24601400 1.0 Fe Fe63 1 0.86227600 0.90620000 0.75220500 1.0 O O64 1 0.12259000 0.12091700 0.49036400 1.0 O O65 1 0.12684900 0.11654500 0.98833900 1.0 O O66 1 0.12250600 0.62145400 0.49068500 1.0 O O67 1 0.12180300 0.62510000 0.99125700 1.0 O O68 1 0.62401300 0.12216200 0.49122000 1.0 O O69 1 0.62609600 0.12547900 0.99449100 1.0 O O70 1 0.62336000 0.62250900 0.49154700 1.0 O O71 1 0.62863600 0.62333300 0.99543000 1.0 O O72 1 0.13832200 0.38246400 0.01477000 1.0 O O73 1 0.12958500 0.37575800 0.50433500 1.0 O O74 1 0.13640400 0.88045300 0.01513200 1.0 O O75 1 0.13067700 0.87775000 0.50649100 1.0 O O76 1 0.63724700 0.38037100 0.01710000 1.0 O O77 1 0.63198500 0.37685400 0.50707300 1.0 O O78 1 0.63830500 0.88379600 0.01457200 1.0 O O79 1 0.63175400 0.87764500 0.50739400 1.0 O O80 1 0.37350000 0.11890500 0.49065900 1.0 O O81 1 0.37421900 0.11980300 0.99293100 1.0 O O82 1 0.37270200 0.62044500 0.49090200 1.0 O O83 1 0.37423000 0.61917600 0.99522800 1.0 O O84 1 0.87388100 0.11898300 0.49141500 1.0 O O85 1 0.87482800 0.11775100 0.99217700 1.0 O O86 1 0.87284900 0.61920900 0.48981700 1.0 O O87 1 0.87894800 0.62249900 0.99267000 1.0 O O88 1 0.38890600 0.38345200 0.01880700 1.0 O O89 1 0.37982100 0.37805900 0.50380700 1.0 O O90 1 0.38212900 0.88775300 0.01418700 1.0 O O91 1 0.38191200 0.88014400 0.50677000 1.0 O O92 1 0.88381100 0.38759200 0.01489100 1.0 O O93 1 0.88056100 0.37814600 0.50527400 1.0 O O94 1 0.88840600 0.88228600 0.01477100 1.0 O O95 1 0.88168100 0.87992300 0.50740100 1.0 O O96 1 0.09124500 0.09838000 0.13808100 1.0 O O97 1 0.08660100 0.09150700 0.64345700 1.0 O O98 1 0.08998000 0.60516300 0.13959100 1.0 O O99 1 0.07146100 0.58478300 0.63519900 1.0 O O100 1 0.58828600 0.10522600 0.13974800 1.0 O O101 1 0.58242600 0.09622500 0.64077100 1.0 O O102 1 0.59198700 0.60023700 0.14034100 1.0 O O103 1 0.57387200 0.58619500 0.63475200 1.0 O O104 1 0.44226500 0.40739200 0.35743600 1.0 O O105 1 0.44395200 0.41382400 0.86950800 1.0 O O106 1 0.43800600 0.90758600 0.35675000 1.0 O O107 1 0.44259000 0.91371900 0.86756100 1.0 O O108 1 0.93701900 0.40705600 0.35577200 1.0 O O109 1 0.94531500 0.40316600 0.86254500 1.0 O O110 1 0.94108100 0.90675900 0.35784400 1.0 O O111 1 0.94629300 0.89429600 0.86136100 1.0 O O112 1 0.33449300 0.28189800 0.14058800 1.0 O O113 1 0.32559200 0.29869100 0.63410500 1.0 O O114 1 0.33380100 0.78234300 0.14030500 1.0 O O115 1 0.32023200 0.80085100 0.63707900 1.0 O O116 1 0.83637900 0.28147200 0.14019200 1.0 O O117 1 0.83714500 0.30059800 0.64175200 1.0 O O118 1 0.83863500 0.78385100 0.14115200 1.0 O O119 1 0.83189000 0.79333800 0.63985100 1.0 O O120 1 0.18739900 0.19781400 0.35487600 1.0 O O121 1 0.19534500 0.20877200 0.86084000 1.0 O O122 1 0.18609600 0.70400900 0.35805000 1.0 O O123 1 0.19421400 0.71182000 0.86868000 1.0 O O124 1 0.68640800 0.20329600 0.35798100 1.0 O O125 1 0.69258600 0.20807900 0.86141300 1.0 O O126 1 0.68739200 0.69922700 0.35675400 1.0 O O127 1 0.69537700 0.70411100 0.86798700 1.0 O O128 1 0.42647900 0.05620100 0.23870300 1.0 O O129 1 0.44204300 0.05258000 0.75139600 1.0 O O130 1 0.42617400 0.55863200 0.23910900 1.0 O O131 1 0.44300400 0.56714700 0.75214000 1.0 O O132 1 0.92634800 0.05896200 0.23914000 1.0 O O133 1 0.93724400 0.05826700 0.75237700 1.0 O O134 1 0.92677700 0.55635000 0.23865300 1.0 O O135 1 0.93257700 0.57561000 0.75997100 1.0 O O136 1 0.18551900 0.44244900 0.24797400 1.0 O O137 1 0.19153600 0.45016900 0.75213100 1.0 O O138 1 0.17430300 0.92882600 0.24006800 1.0 O O139 1 0.18194200 0.93112000 0.75986900 1.0 O O140 1 0.67471600 0.42910600 0.24052300 1.0 O O141 1 0.69207800 0.44292500 0.75084000 1.0 O O142 1 0.68566600 0.94226400 0.24790800 1.0 O O143 1 0.68932600 0.93820600 0.75182200 1.0