# generated using pymatgen data_MgMn2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22088859 _cell_length_b 6.22088859 _cell_length_c 14.90828348 _cell_angle_alpha 84.91495863 _cell_angle_beta 84.91495863 _cell_angle_gamma 56.25527228 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMn2O4 _chemical_formula_sum 'Mg6 Mn12 O24' _cell_volume 477.31052492 _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 Mg Mg0 1 0.16836500 0.16836500 0.95381700 1.0 Mg Mg1 1 0.50060400 0.50060400 0.62465800 1.0 Mg Mg2 1 0.50072400 0.50072400 0.99818800 1.0 Mg Mg3 1 0.83049700 0.83049700 0.29030000 1.0 Mg Mg4 1 0.16842800 0.16842800 0.71050400 1.0 Mg Mg5 1 0.49985900 0.49985900 0.37573900 1.0 Mn Mn6 1 0.17217100 0.67123800 0.83443800 1.0 Mn Mn7 1 0.66830800 0.66830800 0.83330900 1.0 Mn Mn8 1 0.50021500 0.00042600 0.50022600 1.0 Mn Mn9 1 0.67123800 0.17217100 0.83443800 1.0 Mn Mn10 1 0.83527300 0.83527300 0.66735700 1.0 Mn Mn11 1 0.00006700 0.00006700 0.50043100 1.0 Mn Mn12 1 0.82933400 0.32769700 0.16536800 1.0 Mn Mn13 1 0.00042600 0.50021500 0.50022600 1.0 Mn Mn14 1 0.32769700 0.82933400 0.16536800 1.0 Mn Mn15 1 0.16415200 0.16415200 0.33341600 1.0 Mn Mn16 1 0.33131800 0.33131800 0.16778200 1.0 Mn Mn17 1 0.83320000 0.83320000 0.04493800 1.0 O O18 1 0.34996600 0.34996600 0.91168400 1.0 O O19 1 0.49688400 0.49688400 0.75873600 1.0 O O20 1 0.35316000 0.81463500 0.90907600 1.0 O O21 1 0.81463500 0.35316000 0.90907600 1.0 O O22 1 0.53111700 0.98116900 0.75098500 1.0 O O23 1 0.67754700 0.67754700 0.57581700 1.0 O O24 1 0.98116900 0.53111700 0.75098500 1.0 O O25 1 0.83885500 0.83885500 0.90645900 1.0 O O26 1 0.69049300 0.14030500 0.58192800 1.0 O O27 1 0.82577500 0.82577500 0.42533600 1.0 O O28 1 0.98997600 0.98997500 0.75679700 1.0 O O29 1 0.14030500 0.69049300 0.58192800 1.0 O O30 1 0.86003400 0.30948300 0.41809100 1.0 O O31 1 0.00906600 0.00906600 0.24308300 1.0 O O32 1 0.30948300 0.86003400 0.41809100 1.0 O O33 1 0.17445500 0.17445500 0.57474800 1.0 O O34 1 0.15874900 0.15874900 0.09181800 1.0 O O35 1 0.01595400 0.46796800 0.24845600 1.0 O O36 1 0.32263100 0.32263100 0.42380000 1.0 O O37 1 0.46796800 0.01595400 0.24845600 1.0 O O38 1 0.19089600 0.64715000 0.09177300 1.0 O O39 1 0.50502800 0.50502800 0.24113500 1.0 O O40 1 0.64715000 0.19089600 0.09177300 1.0 O O41 1 0.64860600 0.64860600 0.08908900 1.0