# generated using pymatgen data_Mn3Co8N9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82728111 _cell_length_b 8.42467100 _cell_length_c 16.02911640 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.11812327 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Co8N9 _chemical_formula_sum 'Mn12 Co32 N36' _cell_volume 769.38128221 _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 Mn Mn0 1 0.55671000 0.13007000 0.74068700 1.0 Mn Mn1 1 0.44329000 0.63007000 0.75931300 1.0 Mn Mn2 1 0.44329000 0.86993000 0.25931300 1.0 Mn Mn3 1 0.55671000 0.36993000 0.24068700 1.0 Mn Mn4 1 0.75939500 0.82238600 0.55284200 1.0 Mn Mn5 1 0.24060500 0.32238600 0.94715800 1.0 Mn Mn6 1 0.24060500 0.17761400 0.44715800 1.0 Mn Mn7 1 0.75939500 0.67761400 0.05284200 1.0 Mn Mn8 1 0.73150100 0.42879000 0.56878400 1.0 Mn Mn9 1 0.26849900 0.92879000 0.93121600 1.0 Mn Mn10 1 0.26849900 0.57121000 0.43121600 1.0 Mn Mn11 1 0.73150100 0.07121000 0.06878400 1.0 Co Co12 1 0.43129700 0.82170500 0.10310300 1.0 Co Co13 1 0.56870300 0.32170500 0.39689700 1.0 Co Co14 1 0.56870300 0.17829500 0.89689700 1.0 Co Co15 1 0.43129700 0.67829500 0.60310300 1.0 Co Co16 1 0.55972100 0.10028800 0.57197700 1.0 Co Co17 1 0.44027900 0.60028800 0.92802300 1.0 Co Co18 1 0.44027900 0.89971200 0.42802300 1.0 Co Co19 1 0.55972100 0.39971200 0.07197700 1.0 Co Co20 1 0.82321100 0.88521600 0.72491400 1.0 Co Co21 1 0.17678900 0.38521600 0.77508600 1.0 Co Co22 1 0.17678900 0.11478400 0.27508600 1.0 Co Co23 1 0.82321100 0.61478400 0.22491400 1.0 Co Co24 1 0.68326600 0.40711300 0.71717600 1.0 Co Co25 1 0.31673400 0.90711300 0.78282400 1.0 Co Co26 1 0.31673400 0.59288700 0.28282400 1.0 Co Co27 1 0.68326600 0.09288700 0.21717600 1.0 Co Co28 1 0.74745800 0.45372600 0.87827900 1.0 Co Co29 1 0.25254200 0.95372600 0.62172100 1.0 Co Co30 1 0.25254200 0.54627400 0.12172100 1.0 Co Co31 1 0.74745800 0.04627400 0.37827900 1.0 Co Co32 1 0.96389800 0.11537900 0.87408000 1.0 Co Co33 1 0.03610200 0.61537900 0.62592000 1.0 Co Co34 1 0.03610200 0.88462100 0.12592000 1.0 Co Co35 1 0.96389800 0.38462100 0.37408000 1.0 Co Co36 1 0.00862400 0.19327600 0.64162300 1.0 Co Co37 1 0.99137600 0.69327600 0.85837700 1.0 Co Co38 1 0.99137600 0.80672400 0.35837700 1.0 Co Co39 1 0.00862400 0.30672400 0.14162300 1.0 Co Co40 1 0.18063200 0.38426500 0.54899000 1.0 Co Co41 1 0.81936800 0.88426500 0.95101000 1.0 Co Co42 1 0.81936800 0.61573500 0.45101000 1.0 Co Co43 1 0.18063200 0.11573500 0.04899000 1.0 N N44 1 0.47698500 0.45179100 0.61338400 1.0 N N45 1 0.52301500 0.95179100 0.88661600 1.0 N N46 1 0.52301500 0.54820900 0.38661600 1.0 N N47 1 0.47698500 0.04820900 0.11338400 1.0 N N48 1 0.50095100 0.31218800 0.79034200 1.0 N N49 1 0.49904900 0.81218800 0.70965800 1.0 N N50 1 0.49904900 0.68781200 0.20965800 1.0 N N51 1 0.50095100 0.18781200 0.29034200 1.0 N N52 1 0.84852800 0.10780100 0.97160700 1.0 N N53 1 0.15147200 0.60780100 0.52839300 1.0 N N54 1 0.15147200 0.89219900 0.02839300 1.0 N N55 1 0.84852800 0.39219900 0.47160700 1.0 N N56 1 0.45621000 0.87486000 0.54562900 1.0 N N57 1 0.54379000 0.37486000 0.95437100 1.0 N N58 1 0.54379000 0.12514000 0.45437100 1.0 N N59 1 0.45621000 0.62514000 0.04562900 1.0 N N60 1 0.76621400 0.08820200 0.67426500 1.0 N N61 1 0.23378600 0.58820200 0.82573500 1.0 N N62 1 0.23378600 0.91179800 0.32573500 1.0 N N63 1 0.76621400 0.41179800 0.17426500 1.0 N N64 1 0.97080500 0.40994900 0.66542300 1.0 N N65 1 0.02919500 0.90994900 0.83457700 1.0 N N66 1 0.02919500 0.59005100 0.33457700 1.0 N N67 1 0.97080500 0.09005100 0.16542300 1.0 N N68 1 0.99864400 0.32799200 0.85816600 1.0 N N69 1 0.00135600 0.82799200 0.64183400 1.0 N N70 1 0.00135600 0.67200800 0.14183400 1.0 N N71 1 0.99864400 0.17200800 0.35816600 1.0 N N72 1 0.20761300 0.15233500 0.55427600 1.0 N N73 1 0.79238700 0.65233500 0.94572400 1.0 N N74 1 0.79238700 0.84766500 0.44572400 1.0 N N75 1 0.20761300 0.34766500 0.05427600 1.0 N N76 1 0.24919100 0.08684300 0.71326500 1.0 N N77 1 0.75080900 0.58684300 0.78673500 1.0 N N78 1 0.75080900 0.91315700 0.28673500 1.0 N N79 1 0.24919100 0.41315700 0.21326500 1.0