# generated using pymatgen data_Mn2ZnO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22735277 _cell_length_b 6.22735277 _cell_length_c 14.93097957 _cell_angle_alpha 84.83797928 _cell_angle_beta 84.83797928 _cell_angle_gamma 56.17300559 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2ZnO4 _chemical_formula_sum 'Mn12 Zn6 O24' _cell_volume 478.49881620 _cell_formula_units_Z 6 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 0.17162800 0.67044600 0.83355200 1.0 Mn Mn1 1 0.66859500 0.66859500 0.83280600 1.0 Mn Mn2 1 0.50007200 0.00003100 0.50001300 1.0 Mn Mn3 1 0.67044600 0.17162800 0.83355200 1.0 Mn Mn4 1 0.83469100 0.83469100 0.66673500 1.0 Mn Mn5 1 0.00001100 0.00001100 0.50041200 1.0 Mn Mn6 1 0.82879200 0.32829700 0.16599000 1.0 Mn Mn7 1 0.00003100 0.50007200 0.50001300 1.0 Mn Mn8 1 0.32829700 0.82879200 0.16599000 1.0 Mn Mn9 1 0.16414300 0.16414300 0.33360800 1.0 Mn Mn10 1 0.33179300 0.33179300 0.16827900 1.0 Mn Mn11 1 0.83400100 0.83400100 0.04389300 1.0 Zn Zn12 1 0.16740500 0.16740500 0.95391700 1.0 Zn Zn13 1 0.50024500 0.50024500 0.62455700 1.0 Zn Zn14 1 0.50050700 0.50050700 0.99890700 1.0 Zn Zn15 1 0.83021700 0.83021700 0.29067600 1.0 Zn Zn16 1 0.16814700 0.16814700 0.70991100 1.0 Zn Zn17 1 0.49977300 0.49977300 0.37615900 1.0 O O18 1 0.34766700 0.34766700 0.90947700 1.0 O O19 1 0.49743200 0.49743200 0.75897500 1.0 O O20 1 0.35164700 0.81507600 0.90805500 1.0 O O21 1 0.81507600 0.35164700 0.90805500 1.0 O O22 1 0.53150400 0.98129900 0.75075600 1.0 O O23 1 0.67840600 0.67840600 0.57612500 1.0 O O24 1 0.98129900 0.53150400 0.75075600 1.0 O O25 1 0.83912600 0.83912600 0.90510100 1.0 O O26 1 0.68896600 0.13865600 0.58112300 1.0 O O27 1 0.82683800 0.82683800 0.42606300 1.0 O O28 1 0.98906400 0.98906400 0.75546800 1.0 O O29 1 0.13865600 0.68896600 0.58112300 1.0 O O30 1 0.86153500 0.31014800 0.41872900 1.0 O O31 1 0.00986400 0.00986400 0.24376500 1.0 O O32 1 0.31014800 0.86153500 0.41872900 1.0 O O33 1 0.17302800 0.17302800 0.57358600 1.0 O O34 1 0.16048400 0.16048400 0.09281600 1.0 O O35 1 0.01559700 0.46645200 0.24838700 1.0 O O36 1 0.32117100 0.32117100 0.42316300 1.0 O O37 1 0.46645200 0.01559700 0.24838700 1.0 O O38 1 0.19007400 0.64892600 0.09376500 1.0 O O39 1 0.50347800 0.50347800 0.24159400 1.0 O O40 1 0.64892600 0.19007400 0.09376500 1.0 O O41 1 0.65216200 0.65216200 0.09269200 1.0