# generated using pymatgen data_MgFe2CoO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13981446 _cell_length_b 10.87651818 _cell_length_c 13.33319700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.38413094 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFe2CoO7 _chemical_formula_sum 'Mg8 Fe16 Co8 O56' _cell_volume 982.56338203 _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 0.04881400 0.77282000 0.48846900 1.0 Mg Mg1 1 0.31233800 0.94626100 0.86261700 1.0 Mg Mg2 1 0.68766200 0.55373900 0.36261700 1.0 Mg Mg3 1 0.68766200 0.05373900 0.13738300 1.0 Mg Mg4 1 0.31233800 0.44626100 0.63738300 1.0 Mg Mg5 1 0.04881400 0.27282000 0.01153100 1.0 Mg Mg6 1 0.95118600 0.22718000 0.51153100 1.0 Mg Mg7 1 0.95118600 0.72718000 0.98846900 1.0 Fe Fe8 1 0.82661700 0.97018200 0.87854300 1.0 Fe Fe9 1 0.41436100 0.68557900 0.00799000 1.0 Fe Fe10 1 0.41436100 0.18557900 0.49201000 1.0 Fe Fe11 1 0.58563900 0.31442100 0.99201000 1.0 Fe Fe12 1 0.47142700 0.76501700 0.71516300 1.0 Fe Fe13 1 0.52857300 0.73498300 0.21516300 1.0 Fe Fe14 1 0.52857300 0.23498300 0.28483700 1.0 Fe Fe15 1 0.47142700 0.26501700 0.78483700 1.0 Fe Fe16 1 0.58563900 0.81442100 0.50799000 1.0 Fe Fe17 1 0.87746000 0.45894800 0.15535000 1.0 Fe Fe18 1 0.12254000 0.04105200 0.65535000 1.0 Fe Fe19 1 0.12254000 0.54105200 0.84465000 1.0 Fe Fe20 1 0.17338300 0.52981800 0.37854300 1.0 Fe Fe21 1 0.82661700 0.47018200 0.62145700 1.0 Fe Fe22 1 0.17338300 0.02981800 0.12145700 1.0 Fe Fe23 1 0.87746000 0.95894800 0.34465000 1.0 Co Co24 1 0.62123300 0.06791700 0.68314400 1.0 Co Co25 1 0.37876700 0.43208300 0.18314400 1.0 Co Co26 1 0.37876700 0.93208300 0.31685600 1.0 Co Co27 1 0.62123300 0.56791700 0.81685600 1.0 Co Co28 1 0.97787600 0.24793100 0.76706600 1.0 Co Co29 1 0.02212400 0.25206900 0.26706600 1.0 Co Co30 1 0.02212400 0.75206900 0.23293400 1.0 Co Co31 1 0.97787600 0.74793100 0.73293400 1.0 O O32 1 0.75883600 0.96836400 0.01072300 1.0 O O33 1 0.24116400 0.53163600 0.51072300 1.0 O O34 1 0.24116400 0.03163600 0.98927700 1.0 O O35 1 0.75883600 0.46836400 0.48927700 1.0 O O36 1 0.99346000 0.87138000 0.84609800 1.0 O O37 1 0.00654000 0.62862000 0.34609800 1.0 O O38 1 0.00654000 0.12862000 0.15390200 1.0 O O39 1 0.99346000 0.37138000 0.65390200 1.0 O O40 1 0.99437700 0.14334800 0.87528800 1.0 O O41 1 0.00562300 0.35665200 0.37528800 1.0 O O42 1 0.00562300 0.85665200 0.12471200 1.0 O O43 1 0.99437700 0.64334800 0.62471200 1.0 O O44 1 0.63640900 0.92634900 0.26974000 1.0 O O45 1 0.36359100 0.57365100 0.76974000 1.0 O O46 1 0.36359100 0.07365100 0.73026000 1.0 O O47 1 0.63640900 0.42634900 0.23026000 1.0 O O48 1 0.99148400 0.13816400 0.36777100 1.0 O O49 1 0.00851600 0.36183600 0.86777100 1.0 O O50 1 0.00851600 0.86183600 0.63222900 1.0 O O51 1 0.99148400 0.63816400 0.13222900 1.0 O O52 1 0.09521200 0.89175500 0.33495000 1.0 O O53 1 0.36285600 0.82910300 0.42769000 1.0 O O54 1 0.90478800 0.60824500 0.83495100 1.0 O O55 1 0.09521200 0.39175500 0.16504900 1.0 O O56 1 0.73386800 0.71243700 0.46045900 1.0 O O57 1 0.26613200 0.78756300 0.96045900 1.0 O O58 1 0.26613200 0.28756300 0.53954100 1.0 O O59 1 0.73386800 0.21243700 0.03954100 1.0 O O60 1 0.79546000 0.95494500 0.47790000 1.0 O O61 1 0.20454000 0.54505500 0.97790000 1.0 O O62 1 0.20454000 0.04505500 0.52210000 1.0 O O63 1 0.79546000 0.45494500 0.02210000 1.0 O O64 1 0.43702700 0.17335200 0.91362700 1.0 O O65 1 0.56297300 0.32664800 0.41362700 1.0 O O66 1 0.56297300 0.82664800 0.08637300 1.0 O O67 1 0.43702700 0.67335200 0.58637300 1.0 O O68 1 0.70960100 0.20846400 0.76753600 1.0 O O69 1 0.29039900 0.29153600 0.26753600 1.0 O O70 1 0.29039900 0.79153600 0.23246400 1.0 O O71 1 0.70960100 0.70846400 0.73246400 1.0 O O72 1 0.59298800 0.44238600 0.70083400 1.0 O O73 1 0.40701200 0.05761400 0.20083400 1.0 O O74 1 0.40701200 0.55761400 0.29916600 1.0 O O75 1 0.59298800 0.94238600 0.79916600 1.0 O O76 1 0.22770000 0.27619300 0.73217200 1.0 O O77 1 0.77230000 0.22380700 0.23217200 1.0 O O78 1 0.77230000 0.72380700 0.26782800 1.0 O O79 1 0.22770000 0.77619300 0.76782800 1.0 O O80 1 0.52480100 0.40744000 0.88102200 1.0 O O81 1 0.47519900 0.09256000 0.38102200 1.0 O O82 1 0.47519900 0.59256000 0.11897800 1.0 O O83 1 0.52480100 0.90744000 0.61897800 1.0 O O84 1 0.36285600 0.32910300 0.07231000 1.0 O O85 1 0.63714400 0.17089700 0.57231000 1.0 O O86 1 0.63714400 0.67089700 0.92769000 1.0 O O87 1 0.90478800 0.10824500 0.66504900 1.0