# generated using pymatgen data_Mg(FeO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03800077 _cell_length_b 6.03800077 _cell_length_c 20.01395315 _cell_angle_alpha 81.23445120 _cell_angle_beta 81.23445120 _cell_angle_gamma 60.02425219 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg(FeO2)2 _chemical_formula_sum 'Mg8 Fe16 O32' _cell_volume 622.19156714 _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 Mg Mg0 1 0.84635000 0.84635000 0.96950400 1.0 Mg Mg1 1 0.37615600 0.37615600 0.87508000 1.0 Mg Mg2 1 0.59669100 0.59669100 0.71839900 1.0 Mg Mg3 1 0.12563000 0.12563000 0.62459600 1.0 Mg Mg4 1 0.87497900 0.87497900 0.37517500 1.0 Mg Mg5 1 0.99986500 0.99986500 0.50035000 1.0 Mg Mg6 1 0.62533000 0.62533000 0.12566300 1.0 Mg Mg7 1 0.74977800 0.74977800 0.25047800 1.0 Fe Fe8 1 0.37781200 0.86649200 0.87524400 1.0 Fe Fe9 1 0.25026900 0.25026900 0.74699800 1.0 Fe Fe10 1 0.86649200 0.37781200 0.87524400 1.0 Fe Fe11 1 0.34778300 0.34778300 0.46720900 1.0 Fe Fe12 1 0.12553900 0.62181400 0.62497100 1.0 Fe Fe13 1 0.90247700 0.90247700 0.78078100 1.0 Fe Fe14 1 0.09752200 0.09752200 0.21841100 1.0 Fe Fe15 1 0.62181400 0.12553900 0.62497100 1.0 Fe Fe16 1 0.87484600 0.37484700 0.37530000 1.0 Fe Fe17 1 0.65199700 0.65199700 0.53279100 1.0 Fe Fe18 1 0.37484700 0.87484600 0.37530000 1.0 Fe Fe19 1 0.12002300 0.62700000 0.12560300 1.0 Fe Fe20 1 0.62700000 0.12002300 0.12560300 1.0 Fe Fe21 1 0.40224600 0.40224600 0.28252900 1.0 Fe Fe22 1 0.49997900 0.49997900 0.99721700 1.0 Fe Fe23 1 0.15264200 0.15264200 0.03044900 1.0 O O24 1 0.67996400 0.21537200 0.93617300 1.0 O O25 1 0.56415100 0.56415100 0.81974500 1.0 O O26 1 0.21537200 0.67996400 0.93617300 1.0 O O27 1 0.67666700 0.67666700 0.93538100 1.0 O O28 1 0.07045400 0.07045400 0.81441700 1.0 O O29 1 0.42952400 0.96770500 0.68561100 1.0 O O30 1 0.54314500 0.06848200 0.81395300 1.0 O O31 1 0.31379300 0.31379300 0.56604900 1.0 O O32 1 0.96770500 0.42952400 0.68561100 1.0 O O33 1 0.18710000 0.18710000 0.93268500 1.0 O O34 1 0.42573000 0.42573000 0.68488600 1.0 O O35 1 0.06848200 0.54314500 0.81395300 1.0 O O36 1 0.18513200 0.70490900 0.43490700 1.0 O O37 1 0.81878800 0.81878800 0.56573900 1.0 O O38 1 0.29668400 0.81432800 0.56523700 1.0 O O39 1 0.06325800 0.06325800 0.31762500 1.0 O O40 1 0.70490900 0.18513200 0.43490700 1.0 O O41 1 0.93712900 0.93712900 0.68290900 1.0 O O42 1 0.18023600 0.18023600 0.43438400 1.0 O O43 1 0.81432800 0.29668400 0.56523700 1.0 O O44 1 0.56956600 0.56956600 0.31519900 1.0 O O45 1 0.93570400 0.45242400 0.18525500 1.0 O O46 1 0.04616000 0.56472200 0.31466200 1.0 O O47 1 0.81353800 0.81353800 0.07146200 1.0 O O48 1 0.45242400 0.93570400 0.18525500 1.0 O O49 1 0.68670800 0.68670800 0.43229500 1.0 O O50 1 0.93144600 0.93144600 0.18478900 1.0 O O51 1 0.56472200 0.04616000 0.31466200 1.0 O O52 1 0.32118500 0.32118500 0.06397400 1.0 O O53 1 0.79254300 0.31882000 0.06349200 1.0 O O54 1 0.43656400 0.43656400 0.18201700 1.0 O O55 1 0.31882000 0.79254300 0.06349200 1.0