# generated using pymatgen data_MgCo4O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90151301 _cell_length_b 8.15901416 _cell_length_c 8.18754112 _cell_angle_alpha 89.70473221 _cell_angle_beta 90.00445676 _cell_angle_gamma 89.99586626 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCo4O9 _chemical_formula_sum 'Mg2 Co8 O18' _cell_volume 327.42781572 _cell_formula_units_Z 2 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 0.14814500 0.24739800 0.24531700 1.0 Mg Mg1 1 0.85186600 0.74731700 0.74533400 1.0 Co Co2 1 0.61510900 0.53379000 0.33866400 1.0 Co Co3 1 0.38720800 0.83859700 0.46728300 1.0 Co Co4 1 0.61288000 0.33862500 0.96731200 1.0 Co Co5 1 0.38488900 0.03380400 0.83861300 1.0 Co Co6 1 0.61463800 0.96631000 0.16220900 1.0 Co Co7 1 0.61989800 0.16337700 0.53454700 1.0 Co Co8 1 0.38537000 0.46630100 0.66216100 1.0 Co Co9 1 0.37998900 0.66337200 0.03454300 1.0 O O10 1 0.49101000 0.74990700 0.25039200 1.0 O O11 1 0.50900500 0.24985000 0.75033300 1.0 O O12 1 0.05754900 0.68371300 0.97713600 1.0 O O13 1 0.06235400 0.52143500 0.68387900 1.0 O O14 1 0.06408700 0.97595800 0.81459300 1.0 O O15 1 0.06286500 0.81742200 0.52117600 1.0 O O16 1 0.93712400 0.31744800 0.02113300 1.0 O O17 1 0.93591400 0.47598000 0.31459500 1.0 O O18 1 0.93766400 0.02146100 0.18387200 1.0 O O19 1 0.94247900 0.18370700 0.47707800 1.0 O O20 1 0.44847900 0.04566700 0.35461300 1.0 O O21 1 0.42677500 0.14596200 0.04486400 1.0 O O22 1 0.43212600 0.35522800 0.45799100 1.0 O O23 1 0.43997300 0.45522500 0.14743900 1.0 O O24 1 0.55155900 0.54568400 0.85461700 1.0 O O25 1 0.56783600 0.85524600 0.95799400 1.0 O O26 1 0.57321800 0.64597700 0.54486900 1.0 O O27 1 0.55999700 0.95524200 0.64744000 1.0