# generated using pymatgen data_MgFe2(CuO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03996600 _cell_length_b 3.03996669 _cell_length_c 13.40276100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001427 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFe2(CuO2)2 _chemical_formula_sum 'Mg1 Fe2 Cu2 O4' _cell_volume 107.26607598 _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 0.33333300 0.66666700 0.64405800 1.0 Fe Fe1 1 0.00000000 0.00000000 0.45023900 1.0 Fe Fe2 1 0.00000000 0.00000000 0.02316500 1.0 Cu Cu3 1 0.66666700 0.33333500 0.80117200 1.0 Cu Cu4 1 0.33333300 0.66666500 0.23992700 1.0 O O5 1 0.33333300 0.66666500 0.37885600 1.0 O O6 1 0.66666700 0.33333500 0.94658200 1.0 O O7 1 0.66666700 0.33333500 0.55198200 1.0 O O8 1 0.33333300 0.66666500 0.10290800 1.0