# generated using pymatgen data_Mn2CuO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84097548 _cell_length_b 5.84097619 _cell_length_c 23.70933512 _cell_angle_alpha 60.48079234 _cell_angle_beta 60.48078901 _cell_angle_gamma 59.99999551 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CuO4 _chemical_formula_sum 'Mn16 Cu8 O32' _cell_volume 576.09397146 _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 Mn Mn0 1 0.12619400 0.12619400 0.03035500 1.0 Mn Mn1 1 0.99543100 0.50235400 0.12496500 1.0 Mn Mn2 1 0.12376800 0.12376800 0.28217400 1.0 Mn Mn3 1 0.50235400 0.99543100 0.12496500 1.0 Mn Mn4 1 0.50235400 0.50235400 0.12496500 1.0 Mn Mn5 1 0.99287400 0.49518800 0.37918800 1.0 Mn Mn6 1 0.49518800 0.99287400 0.37918800 1.0 Mn Mn7 1 0.49518800 0.49518800 0.37918800 1.0 Mn Mn8 1 0.99971700 0.49961500 0.62526300 1.0 Mn Mn9 1 0.49619900 0.49619900 0.50285100 1.0 Mn Mn10 1 0.49961500 0.99971700 0.62526300 1.0 Mn Mn11 1 0.49961500 0.49961500 0.62526300 1.0 Mn Mn12 1 0.00133900 0.50655900 0.87138600 1.0 Mn Mn13 1 0.50231500 0.50231500 0.74826400 1.0 Mn Mn14 1 0.50655900 0.00133900 0.87138600 1.0 Mn Mn15 1 0.50655900 0.50655900 0.87138600 1.0 Cu Cu16 1 0.50277100 0.50277100 0.99792200 1.0 Cu Cu17 1 0.49675400 0.49675400 0.25243400 1.0 Cu Cu18 1 0.12417600 0.12417600 0.53186800 1.0 Cu Cu19 1 0.12771800 0.12771800 0.77921200 1.0 Cu Cu20 1 0.87320800 0.87320800 0.22009400 1.0 Cu Cu21 1 0.87090700 0.87090700 0.47182000 1.0 Cu Cu22 1 0.87676000 0.87676000 0.71743000 1.0 Cu Cu23 1 0.87804100 0.87804100 0.96647000 1.0 O O24 1 0.25330100 0.25330100 0.06960700 1.0 O O25 1 0.26189000 0.26189000 0.17858300 1.0 O O26 1 0.25330100 0.71496900 0.06960700 1.0 O O27 1 0.71496900 0.25330100 0.06960700 1.0 O O28 1 0.24425300 0.24425300 0.32485500 1.0 O O29 1 0.28918100 0.74744100 0.17898400 1.0 O O30 1 0.24425300 0.71207200 0.32485500 1.0 O O31 1 0.74744100 0.28918100 0.17898400 1.0 O O32 1 0.73972300 0.73972300 0.07020700 1.0 O O33 1 0.25933900 0.25933900 0.43049600 1.0 O O34 1 0.71207200 0.24425300 0.32485500 1.0 O O35 1 0.74744100 0.74744100 0.17898400 1.0 O O36 1 0.26145200 0.26145200 0.56722500 1.0 O O37 1 0.28707300 0.73081600 0.43782400 1.0 O O38 1 0.73281500 0.73281500 0.32538900 1.0 O O39 1 0.73081600 0.28707300 0.43782400 1.0 O O40 1 0.26145200 0.70819600 0.56722500 1.0 O O41 1 0.26435700 0.26435700 0.67673200 1.0 O O42 1 0.73081600 0.73081600 0.43782400 1.0 O O43 1 0.70819600 0.26145200 0.56722500 1.0 O O44 1 0.29176000 0.73771500 0.68320300 1.0 O O45 1 0.26861700 0.26861700 0.81274500 1.0 O O46 1 0.73497900 0.73497900 0.57376600 1.0 O O47 1 0.73771500 0.29176000 0.68320300 1.0 O O48 1 0.26653700 0.26653700 0.92509800 1.0 O O49 1 0.26861700 0.71178800 0.81274500 1.0 O O50 1 0.73771500 0.73771500 0.68320300 1.0 O O51 1 0.71178800 0.26861700 0.81274500 1.0 O O52 1 0.29325400 0.75377000 0.92480200 1.0 O O53 1 0.75377000 0.29325400 0.92480200 1.0 O O54 1 0.74173800 0.74173800 0.81869700 1.0 O O55 1 0.75377000 0.75377000 0.92480200 1.0