# generated using pymatgen data_MgFe5CuO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95072450 _cell_length_b 6.32091160 _cell_length_c 5.95072579 _cell_angle_alpha 63.17243653 _cell_angle_beta 60.68544665 _cell_angle_gamma 63.17243511 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFe5CuO8 _chemical_formula_sum 'Mg1 Fe5 Cu1 O8' _cell_volume 166.35527321 _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 0.12500000 0.62500000 0.12500000 1.0 Fe Fe1 1 0.97307200 0.09291800 0.97307200 1.0 Fe Fe2 1 0.27692800 0.15708200 0.27692800 1.0 Fe Fe3 1 0.12500000 0.62500000 0.62500000 1.0 Fe Fe4 1 0.62500000 0.12500000 0.62500000 1.0 Fe Fe5 1 0.62500000 0.62500000 0.12500000 1.0 Cu Cu6 1 0.62500000 0.62500000 0.62500000 1.0 O O7 1 0.36052200 0.40047200 0.36052200 1.0 O O8 1 0.40399000 0.80183700 0.40399000 1.0 O O9 1 0.34917500 0.38771100 0.86855400 1.0 O O10 1 0.86855400 0.38771100 0.34917500 1.0 O O11 1 0.38144600 0.86228900 0.90082500 1.0 O O12 1 0.90082500 0.86228900 0.38144600 1.0 O O13 1 0.84601000 0.44816300 0.84601000 1.0 O O14 1 0.88947800 0.84952800 0.88947800 1.0