# generated using pymatgen data_Mg(FeO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92478342 _cell_length_b 5.81774304 _cell_length_c 29.46112600 _cell_angle_alpha 60.42920295 _cell_angle_beta 60.07713210 _cell_angle_gamma 60.57877826 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg(FeO2)2 _chemical_formula_sum 'Mg10 Fe20 O40' _cell_volume 723.90720191 _cell_formula_units_Z 10 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 Mg Mg0 1 0.14534400 0.11757500 0.02392100 1.0 Mg Mg1 1 0.13846000 0.12474200 0.22244800 1.0 Mg Mg2 1 0.13300100 0.11877600 0.42599000 1.0 Mg Mg3 1 0.00843800 0.49939700 0.09855600 1.0 Mg Mg4 1 0.99833200 0.50005000 0.50032500 1.0 Mg Mg5 1 0.00158100 0.49601800 0.30130400 1.0 Mg Mg6 1 0.00000900 0.50001000 0.70000100 1.0 Mg Mg7 1 0.49946700 0.50110400 0.59966600 1.0 Mg Mg8 1 0.00174400 0.50060700 0.89940800 1.0 Mg Mg9 1 0.50262600 0.49855900 0.80005000 1.0 Fe Fe10 1 0.50172300 0.49862300 0.00020900 1.0 Fe Fe11 1 0.50860600 0.49900900 0.09789500 1.0 Fe Fe12 1 0.49407600 0.49933900 0.20134500 1.0 Fe Fe13 1 0.50859600 0.00295900 0.09787400 1.0 Fe Fe14 1 0.49696100 0.49930900 0.30077500 1.0 Fe Fe15 1 0.49482800 0.49638200 0.40246300 1.0 Fe Fe16 1 0.49479500 0.00654100 0.50059300 1.0 Fe Fe17 1 0.86599800 0.88116400 0.17421900 1.0 Fe Fe18 1 0.49685300 0.00021500 0.30074300 1.0 Fe Fe19 1 0.13134500 0.11432200 0.62802200 1.0 Fe Fe20 1 0.49481400 0.49575200 0.50059200 1.0 Fe Fe21 1 0.85809700 0.87435000 0.37857000 1.0 Fe Fe22 1 0.13174500 0.11760300 0.82664300 1.0 Fe Fe23 1 0.49961400 0.00017800 0.70014300 1.0 Fe Fe24 1 0.49961500 0.49947400 0.70014600 1.0 Fe Fe25 1 0.86341500 0.88332700 0.57396800 1.0 Fe Fe26 1 0.49413600 0.50865200 0.90005600 1.0 Fe Fe27 1 0.86765100 0.88437000 0.77270100 1.0 Fe Fe28 1 0.49418600 0.99694600 0.90004900 1.0 Fe Fe29 1 0.85609100 0.88768000 0.97368300 1.0 O O30 1 0.29033200 0.25245300 0.04963400 1.0 O O31 1 0.28882800 0.25580900 0.13995500 1.0 O O32 1 0.29016700 0.70904900 0.04967800 1.0 O O33 1 0.73416000 0.24563800 0.05485400 1.0 O O34 1 0.27597900 0.75758400 0.14183900 1.0 O O35 1 0.26524100 0.25018800 0.25257100 1.0 O O36 1 0.73511500 0.74787000 0.05377800 1.0 O O37 1 0.73426800 0.28037400 0.14481400 1.0 O O38 1 0.26574600 0.72137000 0.25273600 1.0 O O39 1 0.27107200 0.25372900 0.34498200 1.0 O O40 1 0.73529300 0.25823000 0.24937100 1.0 O O41 1 0.73392900 0.76126400 0.14483900 1.0 O O42 1 0.25803200 0.72725800 0.35776800 1.0 O O43 1 0.28060100 0.25161500 0.45236900 1.0 O O44 1 0.73685100 0.74162600 0.25530600 1.0 O O45 1 0.72699500 0.27422600 0.35322700 1.0 O O46 1 0.26602000 0.25168200 0.54618300 1.0 O O47 1 0.28045000 0.70601000 0.45239700 1.0 O O48 1 0.72739900 0.73168500 0.35340000 1.0 O O49 1 0.71125200 0.26090900 0.45330100 1.0 O O50 1 0.27020800 0.23931200 0.65395100 1.0 O O51 1 0.27414200 0.75232000 0.54428000 1.0 O O52 1 0.73005800 0.27734000 0.54549900 1.0 O O53 1 0.71512800 0.74787700 0.45778600 1.0 O O54 1 0.27377500 0.25128200 0.74478400 1.0 O O55 1 0.27001600 0.72077700 0.65399500 1.0 O O56 1 0.72979900 0.76501000 0.54556300 1.0 O O57 1 0.72271400 0.25163800 0.65475100 1.0 O O58 1 0.27663800 0.74869000 0.74524600 1.0 O O59 1 0.26905400 0.23971300 0.85340700 1.0 O O60 1 0.73068800 0.27807900 0.74602600 1.0 O O61 1 0.72437500 0.74867300 0.65560300 1.0 O O62 1 0.26883300 0.72429800 0.85345400 1.0 O O63 1 0.27998500 0.25637800 0.94151500 1.0 O O64 1 0.73049400 0.76104700 0.74606300 1.0 O O65 1 0.72318200 0.24836100 0.85599400 1.0 O O66 1 0.26035800 0.75969300 0.94410700 1.0 O O67 1 0.71718600 0.28877300 0.94862700 1.0 O O68 1 0.72647400 0.74829700 0.85533100 1.0 O O69 1 0.71701600 0.75083800 0.94866300 1.0