# generated using pymatgen data_MgMn5CuO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07031023 _cell_length_b 5.11203744 _cell_length_c 9.86599049 _cell_angle_alpha 93.69084965 _cell_angle_beta 97.45834190 _cell_angle_gamma 60.26965008 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMn5CuO12 _chemical_formula_sum 'Mg1 Mn5 Cu1 O12' _cell_volume 220.18288341 _cell_formula_units_Z 1 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 0.07824077 0.00000000 0.24519396 1.0 Mn Mn1 1 0.15828317 0.66420467 0.50535669 1.0 Mn Mn2 1 0.68098213 0.66692945 0.00559062 1.0 Mn Mn3 1 0.34790959 0.33307055 0.00559062 1.0 Mn Mn4 1 0.82248784 0.33579533 0.50535669 1.0 Mn Mn5 1 0.49045654 1.00000000 0.50240442 1.0 Cu Cu6 1 0.00714234 0.00000000 0.97619442 1.0 O O7 1 0.04029794 0.67607723 0.10585615 1.0 O O8 1 0.34942804 0.63773098 0.90201986 1.0 O O9 1 0.13012263 0.30672486 0.39410866 1.0 O O10 1 0.43684750 0.69327514 0.39410866 1.0 O O11 1 0.51392161 0.32935904 0.59871739 1.0 O O12 1 0.19746306 0.00000000 0.60409153 1.0 O O13 1 0.84328065 0.67064096 0.59871739 1.0 O O14 1 0.71637417 0.32392277 0.10585615 1.0 O O15 1 0.36398718 1.00000000 0.10535128 1.0 O O16 1 0.98715802 0.36226902 0.90201986 1.0 O O17 1 0.62594183 0.00000000 0.90195329 1.0 O O18 1 0.80967399 0.00000000 0.39776236 1.0