# generated using pymatgen data_Mg(CuO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91695339 _cell_length_b 8.73283679 _cell_length_c 10.29312545 _cell_angle_alpha 90.00637512 _cell_angle_beta 89.96673217 _cell_angle_gamma 89.95146070 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg(CuO2)2 _chemical_formula_sum 'Mg4 Cu8 O16' _cell_volume 262.19950463 _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 0.74976700 0.23977500 0.33832500 1.0 Mg Mg1 1 0.25009500 0.75987100 0.66092700 1.0 Mg Mg2 1 0.74384200 0.74190700 0.15907100 1.0 Mg Mg3 1 0.25465300 0.25852500 0.83611200 1.0 Cu Cu4 1 0.24757200 0.41326300 0.10061400 1.0 Cu Cu5 1 0.75444600 0.08672800 0.59983500 1.0 Cu Cu6 1 0.25509300 0.91349400 0.39810300 1.0 Cu Cu7 1 0.74764100 0.58656800 0.89831000 1.0 Cu Cu8 1 0.74936300 0.55981700 0.38395900 1.0 Cu Cu9 1 0.24718900 0.44157700 0.61468200 1.0 Cu Cu10 1 0.75547200 0.06056900 0.11403100 1.0 Cu Cu11 1 0.25687900 0.94037600 0.88359300 1.0 O O12 1 0.25491300 0.90364900 0.07233700 1.0 O O13 1 0.75698600 0.09853600 0.92575600 1.0 O O14 1 0.24745800 0.40326300 0.42628000 1.0 O O15 1 0.74218000 0.59851900 0.57325400 1.0 O O16 1 0.25398200 0.02962900 0.71528000 1.0 O O17 1 0.75600500 0.97500800 0.28309900 1.0 O O18 1 0.24995100 0.52592900 0.78412200 1.0 O O19 1 0.74837500 0.47195900 0.21648000 1.0 O O20 1 0.24423500 0.62412300 0.03568200 1.0 O O21 1 0.74412100 0.37701800 0.96421300 1.0 O O22 1 0.25380700 0.12333600 0.46390000 1.0 O O23 1 0.75584800 0.87631600 0.53573600 1.0 O O24 1 0.75753600 0.78919000 0.82137400 1.0 O O25 1 0.25383100 0.20970900 0.17602700 1.0 O O26 1 0.24928900 0.71018600 0.32133300 1.0 O O27 1 0.74986900 0.29082300 0.67458600 1.0