# generated using pymatgen data_Ba4Mg(CuO2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96290774 _cell_length_b 12.53903173 _cell_length_c 3.54092694 _cell_angle_alpha 90.00275865 _cell_angle_beta 90.00200228 _cell_angle_gamma 89.55898870 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Mg(CuO2)4 _chemical_formula_sum 'Ba4 Mg1 Cu4 O8' _cell_volume 264.74403992 _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 Ba Ba0 1 0.24114500 0.12247100 0.50025000 1.0 Ba Ba1 1 0.25895200 0.37797200 0.49970900 1.0 Ba Ba2 1 0.74371400 0.89927700 0.50016400 1.0 Ba Ba3 1 0.75625200 0.60116200 0.49968100 1.0 Mg Mg4 1 0.24995200 0.75025500 0.50024800 1.0 Cu Cu5 1 0.24462100 0.90619200 0.00025300 1.0 Cu Cu6 1 0.25530100 0.59427800 0.00002300 1.0 Cu Cu7 1 0.74610700 0.13487800 0.00001600 1.0 Cu Cu8 1 0.75401500 0.36547500 0.99975400 1.0 O O9 1 0.03127600 0.74882200 0.99976900 1.0 O O10 1 0.97826600 0.24961200 0.99980800 1.0 O O11 1 0.99990900 0.48937900 0.99980000 1.0 O O12 1 0.50008400 0.01109900 0.00012700 1.0 O O13 1 0.46858700 0.75184200 0.00073100 1.0 O O14 1 0.52185400 0.25076000 0.99969100 1.0 O O15 1 0.51459800 0.48967300 0.99971800 1.0 O O16 1 0.98536500 0.01085200 0.00025900 1.0