# generated using pymatgen data_Sr6Ca2Mn3(FeO4)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.14777223 _cell_length_b 11.30635639 _cell_length_c 17.68457499 _cell_angle_alpha 108.62772581 _cell_angle_beta 108.58478133 _cell_angle_gamma 89.78884918 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr6Ca2Mn3(FeO4)5 _chemical_formula_sum 'Sr24 Ca8 Mn12 Fe20 O80' _cell_volume 1990.08291905 _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 0.30773600 0.05900900 0.60832300 1.0 Sr Sr1 1 0.30794100 0.55919100 0.60892600 1.0 Sr Sr2 1 0.80795800 0.05973600 0.60914700 1.0 Sr Sr3 1 0.80861500 0.55869700 0.61001400 1.0 Sr Sr4 1 0.19566000 0.43536200 0.38915600 1.0 Sr Sr5 1 0.19974800 0.44179400 0.89336500 1.0 Sr Sr6 1 0.19749400 0.93788800 0.38900600 1.0 Sr Sr7 1 0.69738600 0.43815800 0.38970400 1.0 Sr Sr8 1 0.70057100 0.44214400 0.89342700 1.0 Sr Sr9 1 0.69763000 0.93930100 0.38921700 1.0 Sr Sr10 1 0.70053600 0.94090600 0.89364100 1.0 Sr Sr11 1 0.05655900 0.29399800 0.10976600 1.0 Sr Sr12 1 0.05798200 0.29944400 0.60860300 1.0 Sr Sr13 1 0.05852700 0.80094200 0.60993900 1.0 Sr Sr14 1 0.55750600 0.29949900 0.60817900 1.0 Sr Sr15 1 0.55702400 0.80017600 0.11021100 1.0 Sr Sr16 1 0.55791500 0.80029800 0.60842800 1.0 Sr Sr17 1 0.44572700 0.19879800 0.38777300 1.0 Sr Sr18 1 0.45003500 0.20222600 0.89351400 1.0 Sr Sr19 1 0.44397600 0.69912600 0.38685500 1.0 Sr Sr20 1 0.44943200 0.70201700 0.89360700 1.0 Sr Sr21 1 0.94616200 0.19772600 0.38606200 1.0 Sr Sr22 1 0.95000100 0.20139900 0.89322200 1.0 Sr Sr23 1 0.94557800 0.70154900 0.38817300 1.0 Ca Ca24 1 0.30177500 0.06320000 0.10411500 1.0 Ca Ca25 1 0.30039000 0.56397800 0.10547600 1.0 Ca Ca26 1 0.80454900 0.06164300 0.10577400 1.0 Ca Ca27 1 0.80060500 0.56672200 0.10456600 1.0 Ca Ca28 1 0.20283700 0.93957700 0.89810100 1.0 Ca Ca29 1 0.05659600 0.78867500 0.10394100 1.0 Ca Ca30 1 0.55379500 0.28832300 0.10397900 1.0 Ca Ca31 1 0.95359600 0.70913100 0.89786500 1.0 Mn Mn32 1 0.11384500 0.09516000 0.75374600 1.0 Mn Mn33 1 0.11071300 0.60232200 0.75352700 1.0 Mn Mn34 1 0.60688900 0.09547300 0.24678400 1.0 Mn Mn35 1 0.61334500 0.09657000 0.75202800 1.0 Mn Mn36 1 0.61597900 0.59827400 0.75179400 1.0 Mn Mn37 1 0.35903800 0.40128600 0.24629800 1.0 Mn Mn38 1 0.36336700 0.40540200 0.75217700 1.0 Mn Mn39 1 0.35220200 0.90427300 0.24471500 1.0 Mn Mn40 1 0.36016500 0.90507100 0.75332700 1.0 Mn Mn41 1 0.86418300 0.40871100 0.75358800 1.0 Mn Mn42 1 0.86104500 0.89946800 0.24684300 1.0 Mn Mn43 1 0.86631600 0.90003800 0.75221500 1.0 Fe Fe44 1 0.00759700 0.00017100 0.00310400 1.0 Fe Fe45 1 0.00328200 0.00014100 0.49926700 1.0 Fe Fe46 1 0.00550900 0.50257600 0.00292200 1.0 Fe Fe47 1 0.00300700 0.50016200 0.50007200 1.0 Fe Fe48 1 0.50523900 0.00177100 0.00298800 1.0 Fe Fe49 1 0.50274200 0.00025400 0.49922400 1.0 Fe Fe50 1 0.50761400 0.50284100 0.00635900 1.0 Fe Fe51 1 0.50312100 0.50078500 0.49937500 1.0 Fe Fe52 1 0.25614900 0.25190700 0.00312300 1.0 Fe Fe53 1 0.25380300 0.24993600 0.50020000 1.0 Fe Fe54 1 0.25431700 0.75215500 0.00229600 1.0 Fe Fe55 1 0.25265300 0.74993500 0.49997600 1.0 Fe Fe56 1 0.75670500 0.25260200 0.00537400 1.0 Fe Fe57 1 0.75284100 0.24972100 0.49926200 1.0 Fe Fe58 1 0.75763000 0.75256500 0.00341500 1.0 Fe Fe59 1 0.75382100 0.75005300 0.50017500 1.0 Fe Fe60 1 0.10677200 0.08257700 0.24396300 1.0 Fe Fe61 1 0.10398400 0.58834000 0.24570800 1.0 Fe Fe62 1 0.60471900 0.58431500 0.24446800 1.0 Fe Fe63 1 0.85096500 0.40700600 0.24428400 1.0 O O64 1 0.12444600 0.12365500 0.49334600 1.0 O O65 1 0.12778900 0.11761000 0.99036600 1.0 O O66 1 0.12285200 0.62190200 0.49205100 1.0 O O67 1 0.12139900 0.62553800 0.99135500 1.0 O O68 1 0.62483900 0.12386300 0.49511700 1.0 O O69 1 0.62691000 0.12661600 0.99840000 1.0 O O70 1 0.62431800 0.62350700 0.49272300 1.0 O O71 1 0.62739100 0.62226400 0.99425600 1.0 O O72 1 0.13657600 0.38334700 0.01280600 1.0 O O73 1 0.12943600 0.37586000 0.50384100 1.0 O O74 1 0.13417700 0.87895200 0.01153800 1.0 O O75 1 0.12928600 0.87573000 0.50353700 1.0 O O76 1 0.63658700 0.38108500 0.01705800 1.0 O O77 1 0.62960500 0.37706000 0.50420300 1.0 O O78 1 0.63618600 0.88127900 0.01056700 1.0 O O79 1 0.62840500 0.87531700 0.50226400 1.0 O O80 1 0.37405100 0.12143500 0.49345800 1.0 O O81 1 0.37509700 0.12089500 0.99482900 1.0 O O82 1 0.37346400 0.62183600 0.49316300 1.0 O O83 1 0.37494000 0.62086600 0.99731400 1.0 O O84 1 0.87511100 0.12190000 0.49498900 1.0 O O85 1 0.87622700 0.11951700 0.99533400 1.0 O O86 1 0.87340900 0.62000700 0.49128200 1.0 O O87 1 0.87950300 0.62461800 0.99566900 1.0 O O88 1 0.38780500 0.38415800 0.01652500 1.0 O O89 1 0.37982700 0.37829400 0.50414200 1.0 O O90 1 0.37944300 0.88528800 0.00974000 1.0 O O91 1 0.37981600 0.87782500 0.50429400 1.0 O O92 1 0.88236000 0.38724000 0.01460600 1.0 O O93 1 0.87896500 0.37738500 0.50255900 1.0 O O94 1 0.88797900 0.88256100 0.01389700 1.0 O O95 1 0.88004600 0.87825800 0.50469800 1.0 O O96 1 0.09670900 0.09515600 0.13873700 1.0 O O97 1 0.07875200 0.08040400 0.63777700 1.0 O O98 1 0.09132000 0.60359300 0.14028000 1.0 O O99 1 0.07056400 0.58322700 0.63596500 1.0 O O100 1 0.58007800 0.09156200 0.13559900 1.0 O O101 1 0.57525500 0.08276600 0.63626500 1.0 O O102 1 0.59298900 0.60088200 0.14027600 1.0 O O103 1 0.57560400 0.58454900 0.63579600 1.0 O O104 1 0.43850200 0.41943500 0.36156500 1.0 O O105 1 0.44101000 0.41516900 0.86734000 1.0 O O106 1 0.43346900 0.92134400 0.36033700 1.0 O O107 1 0.44439100 0.91681500 0.86736500 1.0 O O108 1 0.93549800 0.40734800 0.35551900 1.0 O O109 1 0.93999400 0.41246600 0.86715000 1.0 O O110 1 0.93929200 0.91951600 0.36308900 1.0 O O111 1 0.94489400 0.90660400 0.86654300 1.0 O O112 1 0.32714300 0.28870700 0.13601800 1.0 O O113 1 0.32526600 0.30307800 0.63629900 1.0 O O114 1 0.32484700 0.79085900 0.13537500 1.0 O O115 1 0.32083000 0.80350100 0.63686200 1.0 O O116 1 0.83523300 0.28108700 0.14110100 1.0 O O117 1 0.82904400 0.30813300 0.63763100 1.0 O O118 1 0.82866200 0.78953100 0.13549600 1.0 O O119 1 0.82560900 0.80132300 0.63525400 1.0 O O120 1 0.19033000 0.19505000 0.35557800 1.0 O O121 1 0.19212500 0.20534600 0.86689900 1.0 O O122 1 0.18538200 0.70092200 0.35663200 1.0 O O123 1 0.19353200 0.70919100 0.86710200 1.0 O O124 1 0.68259800 0.19511500 0.36237900 1.0 O O125 1 0.69016500 0.20102600 0.86757100 1.0 O O126 1 0.68822100 0.69776400 0.35520700 1.0 O O127 1 0.69726300 0.70087600 0.86659400 1.0 O O128 1 0.43021100 0.05875000 0.23898600 1.0 O O129 1 0.44098700 0.06135100 0.75141800 1.0 O O130 1 0.43028200 0.55645700 0.23893900 1.0 O O131 1 0.44470100 0.56408700 0.75226400 1.0 O O132 1 0.93421800 0.05655200 0.23904100 1.0 O O133 1 0.94229100 0.06209800 0.75212300 1.0 O O134 1 0.92499400 0.55902600 0.23852100 1.0 O O135 1 0.94099600 0.57547500 0.76020500 1.0 O O136 1 0.18189400 0.43635200 0.24814900 1.0 O O137 1 0.19169000 0.44311800 0.75202200 1.0 O O138 1 0.17424400 0.92225100 0.24054200 1.0 O O139 1 0.19040000 0.93360300 0.76000800 1.0 O O140 1 0.67331500 0.42446900 0.24008100 1.0 O O141 1 0.69151100 0.43639200 0.75092800 1.0 O O142 1 0.69080100 0.94085200 0.24855500 1.0 O O143 1 0.69524300 0.93866000 0.75202200 1.0