# generated using pymatgen data_MgCuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89191400 _cell_length_b 8.29199406 _cell_length_c 8.31884493 _cell_angle_alpha 90.06611716 _cell_angle_beta 99.72459627 _cell_angle_gamma 99.95461669 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCuO2 _chemical_formula_sum 'Mg4 Cu4 O8' _cell_volume 193.56255507 _cell_formula_units_Z 4 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 0.91671100 0.57330700 0.27215200 1.0 Mg Mg1 1 0.08328900 0.42669300 0.72784800 1.0 Mg Mg2 1 0.29178500 0.20852800 0.37834600 1.0 Mg Mg3 1 0.70821500 0.79147200 0.62165400 1.0 Cu Cu4 1 0.31804500 0.69035200 0.94232700 1.0 Cu Cu5 1 0.09853000 0.88894500 0.30864400 1.0 Cu Cu6 1 0.90147000 0.11105500 0.69135600 1.0 Cu Cu7 1 0.68195500 0.30964800 0.05767300 1.0 O O8 1 0.08930300 0.26678900 0.91099000 1.0 O O9 1 0.31359900 0.94378800 0.68354900 1.0 O O10 1 0.68640100 0.05621200 0.31645100 1.0 O O11 1 0.91069700 0.73321100 0.08901000 1.0 O O12 1 0.69635800 0.60790400 0.77478200 1.0 O O13 1 0.54454500 0.71184000 0.39330200 1.0 O O14 1 0.30364200 0.39209600 0.22521800 1.0 O O15 1 0.45545500 0.28816000 0.60669800 1.0