# generated using pymatgen data_Ca7MgMn7FeO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.88990559 _cell_length_b 11.13761915 _cell_length_c 16.89375825 _cell_angle_alpha 109.04034386 _cell_angle_beta 109.13481783 _cell_angle_gamma 90.52903945 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca7MgMn7FeO20 _chemical_formula_sum 'Ca28 Mg4 Mn28 Fe4 O80' _cell_volume 1814.33909095 _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 Ca Ca0 1 0.30670500 0.06354300 0.60782700 1.0 Ca Ca1 1 0.30737400 0.56266800 0.60569300 1.0 Ca Ca2 1 0.80665100 0.06322900 0.60859100 1.0 Ca Ca3 1 0.80465800 0.56340100 0.10878700 1.0 Ca Ca4 1 0.80715700 0.56320700 0.60690000 1.0 Ca Ca5 1 0.19466300 0.43299500 0.38911200 1.0 Ca Ca6 1 0.19981000 0.43819700 0.89417900 1.0 Ca Ca7 1 0.19544200 0.93651000 0.38760000 1.0 Ca Ca8 1 0.20162300 0.93863400 0.89719800 1.0 Ca Ca9 1 0.69483600 0.43543400 0.39086400 1.0 Ca Ca10 1 0.69735000 0.43589900 0.89276900 1.0 Ca Ca11 1 0.69459100 0.93555000 0.39017900 1.0 Ca Ca12 1 0.69990900 0.93502400 0.89604500 1.0 Ca Ca13 1 0.05484500 0.29339500 0.11057200 1.0 Ca Ca14 1 0.05548100 0.29273500 0.60777600 1.0 Ca Ca15 1 0.05481000 0.79191400 0.60641500 1.0 Ca Ca16 1 0.55593600 0.29310000 0.10945300 1.0 Ca Ca17 1 0.55539800 0.29299400 0.60741500 1.0 Ca Ca18 1 0.55233900 0.79125800 0.10882900 1.0 Ca Ca19 1 0.55626200 0.79069800 0.60552900 1.0 Ca Ca20 1 0.44689300 0.20364000 0.38618400 1.0 Ca Ca21 1 0.45174800 0.20455800 0.89091000 1.0 Ca Ca22 1 0.44571100 0.70755900 0.38732100 1.0 Ca Ca23 1 0.45098200 0.70717500 0.89207400 1.0 Ca Ca24 1 0.94863200 0.20412800 0.38791700 1.0 Ca Ca25 1 0.94786300 0.20352800 0.89147900 1.0 Ca Ca26 1 0.94806200 0.70857000 0.39094700 1.0 Ca Ca27 1 0.95276300 0.70696800 0.89684700 1.0 Mg Mg28 1 0.28509800 0.07445200 0.11533000 1.0 Mg Mg29 1 0.28796300 0.57097900 0.11065900 1.0 Mg Mg30 1 0.78113100 0.07589200 0.11293400 1.0 Mg Mg31 1 0.03052700 0.79006400 0.11337700 1.0 Mn Mn32 1 0.00642000 0.99973000 0.49855700 1.0 Mn Mn33 1 0.00561800 0.49679300 0.49827100 1.0 Mn Mn34 1 0.50491500 0.99950300 0.49751900 1.0 Mn Mn35 1 0.50661500 0.49943300 0.00181600 1.0 Mn Mn36 1 0.50456500 0.49625800 0.49657500 1.0 Mn Mn37 1 0.26308300 0.25339700 0.00538400 1.0 Mn Mn38 1 0.25573700 0.24706100 0.49855400 1.0 Mn Mn39 1 0.26102100 0.75005300 0.00601900 1.0 Mn Mn40 1 0.25590600 0.74989600 0.49921000 1.0 Mn Mn41 1 0.76033300 0.24679600 0.00168100 1.0 Mn Mn42 1 0.75516800 0.24775700 0.49912200 1.0 Mn Mn43 1 0.75378600 0.74915300 0.49831800 1.0 Mn Mn44 1 0.09906300 0.09017400 0.24265700 1.0 Mn Mn45 1 0.11265300 0.09269600 0.75266900 1.0 Mn Mn46 1 0.10852400 0.60389600 0.24892200 1.0 Mn Mn47 1 0.10833000 0.60068500 0.75201100 1.0 Mn Mn48 1 0.60016800 0.09593200 0.24628500 1.0 Mn Mn49 1 0.61227500 0.08854500 0.75010900 1.0 Mn Mn50 1 0.59693900 0.59416400 0.24501200 1.0 Mn Mn51 1 0.60923700 0.59935000 0.74992500 1.0 Mn Mn52 1 0.35533000 0.40670200 0.24343200 1.0 Mn Mn53 1 0.36003200 0.40802300 0.75041900 1.0 Mn Mn54 1 0.34690100 0.90139400 0.23957500 1.0 Mn Mn55 1 0.35593100 0.89920900 0.75002100 1.0 Mn Mn56 1 0.85912800 0.40448500 0.24757000 1.0 Mn Mn57 1 0.86180900 0.40694600 0.75139900 1.0 Mn Mn58 1 0.85802500 0.91345100 0.24697000 1.0 Mn Mn59 1 0.85946700 0.89809400 0.75184200 1.0 Fe Fe60 1 0.01014800 0.99986800 0.00588600 1.0 Fe Fe61 1 0.00965800 0.49941300 0.00165800 1.0 Fe Fe62 1 0.50509800 0.00235700 0.00320400 1.0 Fe Fe63 1 0.76050600 0.75179400 0.00582500 1.0 O O64 1 0.12288900 0.11755200 0.48246900 1.0 O O65 1 0.13051000 0.12175000 0.98726000 1.0 O O66 1 0.12350300 0.61869500 0.48526600 1.0 O O67 1 0.13208700 0.61813100 0.98715900 1.0 O O68 1 0.62085400 0.11657100 0.48070700 1.0 O O69 1 0.62861000 0.11648500 0.98406900 1.0 O O70 1 0.62301300 0.61913900 0.48668900 1.0 O O71 1 0.62414100 0.61688600 0.98794500 1.0 O O72 1 0.15580400 0.39117900 0.03291100 1.0 O O73 1 0.13932100 0.37843700 0.51496300 1.0 O O74 1 0.14887800 0.88383400 0.02824400 1.0 O O75 1 0.13763900 0.87868300 0.51360800 1.0 O O76 1 0.64064500 0.37485700 0.01755000 1.0 O O77 1 0.63862800 0.38014400 0.51545000 1.0 O O78 1 0.64523000 0.88720300 0.02027000 1.0 O O79 1 0.63609100 0.87962600 0.51210800 1.0 O O80 1 0.37056400 0.11504000 0.48098200 1.0 O O81 1 0.37841100 0.12418200 0.98313900 1.0 O O82 1 0.37240400 0.61577700 0.48465100 1.0 O O83 1 0.37597100 0.62029600 0.97953500 1.0 O O84 1 0.87040200 0.11606100 0.48115800 1.0 O O85 1 0.87711700 0.11440500 0.98518800 1.0 O O86 1 0.87207800 0.61696300 0.48526400 1.0 O O87 1 0.87641800 0.61408300 0.98440900 1.0 O O88 1 0.39112000 0.39937700 0.02977700 1.0 O O89 1 0.38314300 0.37863900 0.50806400 1.0 O O90 1 0.38639400 0.89180600 0.02263700 1.0 O O91 1 0.38728300 0.88280600 0.51368300 1.0 O O92 1 0.89327500 0.38344100 0.02254400 1.0 O O93 1 0.88445000 0.38062600 0.51148300 1.0 O O94 1 0.90161900 0.88441100 0.02676900 1.0 O O95 1 0.88459400 0.88117200 0.51046300 1.0 O O96 1 0.10865700 0.10747900 0.13824800 1.0 O O97 1 0.08074200 0.09677000 0.62975700 1.0 O O98 1 0.09159500 0.61657500 0.13669600 1.0 O O99 1 0.07735200 0.59392000 0.63263100 1.0 O O100 1 0.60418500 0.10298800 0.13715400 1.0 O O101 1 0.58144000 0.09655900 0.62831400 1.0 O O102 1 0.59455800 0.59812100 0.13441400 1.0 O O103 1 0.57396700 0.59126100 0.63026200 1.0 O O104 1 0.45146500 0.40333800 0.36707300 1.0 O O105 1 0.45044000 0.40018600 0.87182400 1.0 O O106 1 0.44116100 0.90377100 0.36573000 1.0 O O107 1 0.44316800 0.90293700 0.86750400 1.0 O O108 1 0.95096400 0.40103700 0.36970600 1.0 O O109 1 0.96078200 0.39585900 0.87096800 1.0 O O110 1 0.95059300 0.90437200 0.36827700 1.0 O O111 1 0.95196700 0.90229600 0.86981300 1.0 O O112 1 0.34071400 0.26139800 0.13095500 1.0 O O113 1 0.33356900 0.28185400 0.62924100 1.0 O O114 1 0.34628900 0.75889300 0.12977400 1.0 O O115 1 0.32725200 0.78688300 0.63155100 1.0 O O116 1 0.83173700 0.26510500 0.12989200 1.0 O O117 1 0.83104400 0.28081700 0.62895600 1.0 O O118 1 0.85074700 0.77494400 0.13627700 1.0 O O119 1 0.82847600 0.78811500 0.63253000 1.0 O O120 1 0.18497400 0.20531600 0.36339500 1.0 O O121 1 0.20347000 0.22449300 0.87530800 1.0 O O122 1 0.19638100 0.71476400 0.36756100 1.0 O O123 1 0.19420600 0.71785000 0.87079100 1.0 O O124 1 0.68345500 0.21226100 0.36515500 1.0 O O125 1 0.70619100 0.21992200 0.87168200 1.0 O O126 1 0.68218800 0.70988800 0.36369200 1.0 O O127 1 0.69667300 0.71288500 0.86751300 1.0 O O128 1 0.40963500 0.07690100 0.23589500 1.0 O O129 1 0.42220200 0.06391800 0.75001200 1.0 O O130 1 0.40930800 0.58160700 0.23617900 1.0 O O131 1 0.42509500 0.58282700 0.74977200 1.0 O O132 1 0.91073800 0.08440300 0.23507000 1.0 O O133 1 0.92243100 0.06301400 0.75093300 1.0 O O134 1 0.92908900 0.57836500 0.24989300 1.0 O O135 1 0.92465100 0.58330700 0.75116100 1.0 O O136 1 0.17138300 0.43744300 0.24945500 1.0 O O137 1 0.17250500 0.43651900 0.75070100 1.0 O O138 1 0.15267000 0.92036300 0.23547400 1.0 O O139 1 0.17373700 0.91580600 0.75108500 1.0 O O140 1 0.67189000 0.43756000 0.25002500 1.0 O O141 1 0.67264700 0.43506000 0.75097100 1.0 O O142 1 0.67005000 0.93755900 0.24926300 1.0 O O143 1 0.67488500 0.91332800 0.75092300 1.0