# generated using pymatgen data_Mn9(Cu3O10)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03159054 _cell_length_b 6.03159054 _cell_length_c 24.85801667 _cell_angle_alpha 81.75159345 _cell_angle_beta 81.75159345 _cell_angle_gamma 59.58707352 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn9(Cu3O10)2 _chemical_formula_sum 'Mn18 Cu12 O40' _cell_volume 769.16858078 _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 Mn Mn0 1 0.99404200 0.99404200 0.99944100 1.0 Mn Mn1 1 0.59433300 0.59433300 0.19749800 1.0 Mn Mn2 1 0.12626000 0.62408200 0.12500500 1.0 Mn Mn3 1 0.62408200 0.12626000 0.12500500 1.0 Mn Mn4 1 0.19741100 0.19741100 0.39896100 1.0 Mn Mn5 1 0.32406900 0.32406900 0.02512200 1.0 Mn Mn6 1 0.72570400 0.22313700 0.32493200 1.0 Mn Mn7 1 0.22313700 0.72570400 0.32493200 1.0 Mn Mn8 1 0.79440400 0.79440400 0.59999200 1.0 Mn Mn9 1 0.72560500 0.72560500 0.32482900 1.0 Mn Mn10 1 0.32591400 0.82264200 0.52496500 1.0 Mn Mn11 1 0.82264200 0.32591400 0.52496500 1.0 Mn Mn12 1 0.92628500 0.42372100 0.72586700 1.0 Mn Mn13 1 0.42372100 0.92628500 0.72586700 1.0 Mn Mn14 1 0.12554200 0.12554200 0.62586300 1.0 Mn Mn15 1 0.52486100 0.02515600 0.92373800 1.0 Mn Mn16 1 0.02515600 0.52486100 0.92373800 1.0 Mn Mn17 1 0.72471500 0.72471500 0.82461800 1.0 Cu Cu18 1 0.65371300 0.65371300 0.04929300 1.0 Cu Cu19 1 0.25075700 0.25075700 0.25056900 1.0 Cu Cu20 1 0.12499700 0.12499700 0.12509700 1.0 Cu Cu21 1 0.85477400 0.85477400 0.45208600 1.0 Cu Cu22 1 0.92362600 0.92362600 0.22478800 1.0 Cu Cu23 1 0.52529800 0.52529800 0.42596600 1.0 Cu Cu24 1 0.45372300 0.45372300 0.65094400 1.0 Cu Cu25 1 0.39704600 0.39704600 0.80007900 1.0 Cu Cu26 1 0.32618800 0.32618800 0.52473100 1.0 Cu Cu27 1 0.05341100 0.05341100 0.84935600 1.0 Cu Cu28 1 0.92536700 0.92536700 0.72560800 1.0 Cu Cu29 1 0.52540100 0.52540100 0.92395900 1.0 O O30 1 0.46466000 0.46466000 0.07863300 1.0 O O31 1 0.28497300 0.28497300 0.16935000 1.0 O O32 1 0.01171700 0.46670400 0.07703800 1.0 O O33 1 0.46670400 0.01171700 0.07703800 1.0 O O34 1 0.06134200 0.06134200 0.28125700 1.0 O O35 1 0.78363000 0.24034700 0.17084700 1.0 O O36 1 0.24034700 0.78363000 0.17084700 1.0 O O37 1 0.60493100 0.05876700 0.27975300 1.0 O O38 1 0.87706900 0.87706900 0.37153400 1.0 O O39 1 0.96518100 0.96518100 0.08155000 1.0 O O40 1 0.05876700 0.60493100 0.27975300 1.0 O O41 1 0.78587700 0.78587700 0.16883400 1.0 O O42 1 0.66626900 0.66626900 0.48187600 1.0 O O43 1 0.39266300 0.84127300 0.37039300 1.0 O O44 1 0.84127300 0.39266300 0.37039300 1.0 O O45 1 0.48598100 0.48598100 0.56963600 1.0 O O46 1 0.20772700 0.66795800 0.47945400 1.0 O O47 1 0.57238200 0.57238200 0.27967500 1.0 O O48 1 0.66795800 0.20772700 0.47945400 1.0 O O49 1 0.38976100 0.38976100 0.36853700 1.0 O O50 1 0.98697100 0.43525200 0.57282300 1.0 O O51 1 0.26647000 0.26647000 0.67837100 1.0 O O52 1 0.08354700 0.08354700 0.76803500 1.0 O O53 1 0.43525200 0.98697100 0.57282300 1.0 O O54 1 0.16442700 0.16442700 0.48157700 1.0 O O55 1 0.81176400 0.26775500 0.67712200 1.0 O O56 1 0.26775500 0.81176400 0.67712200 1.0 O O57 1 0.98826500 0.98826500 0.57092900 1.0 O O58 1 0.58229100 0.04024700 0.77349300 1.0 O O59 1 0.86441200 0.86441200 0.87697300 1.0 O O60 1 0.68438900 0.68438900 0.96768700 1.0 O O61 1 0.04024700 0.58229100 0.77349300 1.0 O O62 1 0.76640600 0.76640600 0.68336800 1.0 O O63 1 0.40955800 0.86698900 0.87657400 1.0 O O64 1 0.86698900 0.40955800 0.87657400 1.0 O O65 1 0.58504500 0.58504500 0.77316800 1.0 O O66 1 0.18561200 0.63641700 0.97224200 1.0 O O67 1 0.63641700 0.18561200 0.97224200 1.0 O O68 1 0.36617500 0.36617500 0.88100800 1.0 O O69 1 0.18661600 0.18661600 0.97071100 1.0