# generated using pymatgen data_Mn2CuO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02532167 _cell_length_b 6.02532167 _cell_length_c 24.88134301 _cell_angle_alpha 82.26868642 _cell_angle_beta 82.26868642 _cell_angle_gamma 59.72612555 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CuO4 _chemical_formula_sum 'Mn20 Cu10 O40' _cell_volume 770.67351169 _cell_formula_units_Z 10 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 0.00447700 0.00447700 0.99973200 1.0 Mn Mn1 1 0.40451000 0.40451000 0.79952500 1.0 Mn Mn2 1 0.37685800 0.87364000 0.87518400 1.0 Mn Mn3 1 0.87364000 0.37685800 0.87518400 1.0 Mn Mn4 1 0.80458000 0.80458000 0.59939500 1.0 Mn Mn5 1 0.67487500 0.67487500 0.97478700 1.0 Mn Mn6 1 0.77704100 0.27367600 0.67516300 1.0 Mn Mn7 1 0.07513400 0.07513400 0.77463600 1.0 Mn Mn8 1 0.27367600 0.77704100 0.67516300 1.0 Mn Mn9 1 0.20395000 0.20395000 0.40031700 1.0 Mn Mn10 1 0.17731800 0.67352300 0.47514200 1.0 Mn Mn11 1 0.67352300 0.17731800 0.47514200 1.0 Mn Mn12 1 0.47527600 0.47527600 0.57451200 1.0 Mn Mn13 1 0.57701200 0.07372900 0.27416000 1.0 Mn Mn14 1 0.87821600 0.87821600 0.37428500 1.0 Mn Mn15 1 0.07372900 0.57701200 0.27416000 1.0 Mn Mn16 1 0.07431400 0.07431400 0.27434400 1.0 Mn Mn17 1 0.97490900 0.47504700 0.07596100 1.0 Mn Mn18 1 0.27268900 0.27268900 0.17472000 1.0 Mn Mn19 1 0.47504700 0.97490900 0.07596100 1.0 Cu Cu20 1 0.34731600 0.34731600 0.95096400 1.0 Cu Cu21 1 0.74748300 0.74748300 0.75029700 1.0 Cu Cu22 1 0.87405600 0.87405600 0.87520300 1.0 Cu Cu23 1 0.14730300 0.14730300 0.55038700 1.0 Cu Cu24 1 0.27434800 0.27434800 0.67512200 1.0 Cu Cu25 1 0.55107300 0.55107300 0.35024900 1.0 Cu Cu26 1 0.59904900 0.59904900 0.19890400 1.0 Cu Cu27 1 0.67482700 0.67482700 0.47488500 1.0 Cu Cu28 1 0.94801500 0.94801500 0.14970900 1.0 Cu Cu29 1 0.47417800 0.47417800 0.07612100 1.0 O O30 1 0.53356300 0.53356300 0.92345100 1.0 O O31 1 0.53248900 0.98874300 0.92392300 1.0 O O32 1 0.71428900 0.71428900 0.83261400 1.0 O O33 1 0.98874300 0.53248900 0.92392300 1.0 O O34 1 0.93395100 0.93395100 0.72334700 1.0 O O35 1 0.76401900 0.21590700 0.82638200 1.0 O O36 1 0.03569000 0.03569000 0.91687200 1.0 O O37 1 0.21590700 0.76401900 0.82638200 1.0 O O38 1 0.11472200 0.11472200 0.63268900 1.0 O O39 1 0.93274000 0.38835700 0.72371000 1.0 O O40 1 0.38835700 0.93274000 0.72371000 1.0 O O41 1 0.21326000 0.21326000 0.82687600 1.0 O O42 1 0.33370600 0.33370600 0.52309200 1.0 O O43 1 0.16343900 0.61547900 0.62646400 1.0 O O44 1 0.61547900 0.16343900 0.62646400 1.0 O O45 1 0.51593600 0.51593600 0.43241000 1.0 O O46 1 0.43510700 0.43510700 0.71677600 1.0 O O47 1 0.33212900 0.78839700 0.52379900 1.0 O O48 1 0.78839700 0.33212900 0.52379900 1.0 O O49 1 0.61331100 0.61331100 0.62704900 1.0 O O50 1 0.73992400 0.73992400 0.32058100 1.0 O O51 1 0.56472600 0.01762500 0.42550300 1.0 O O52 1 0.83382200 0.83382200 0.51661400 1.0 O O53 1 0.01762500 0.56472600 0.42550300 1.0 O O54 1 0.92189300 0.92189300 0.23114200 1.0 O O55 1 0.74786200 0.19306000 0.32296800 1.0 O O56 1 0.19306000 0.74786200 0.32296800 1.0 O O57 1 0.01397000 0.01397000 0.42816100 1.0 O O58 1 0.13504400 0.13504400 0.12235200 1.0 O O59 1 0.95524400 0.40243800 0.22652100 1.0 O O60 1 0.22887200 0.22887200 0.31728200 1.0 O O61 1 0.13050100 0.58926300 0.12447100 1.0 O O62 1 0.40243800 0.95524400 0.22652100 1.0 O O63 1 0.31599100 0.31599100 0.03324400 1.0 O O64 1 0.58926300 0.13050100 0.12447100 1.0 O O65 1 0.40951600 0.40951600 0.22826900 1.0 O O66 1 0.36464200 0.81581200 0.02691600 1.0 O O67 1 0.63373400 0.63373400 0.11831700 1.0 O O68 1 0.81581200 0.36464200 0.02691600 1.0 O O69 1 0.81240300 0.81240300 0.02823600 1.0