# generated using pymatgen data_Ba4Mg(CuO2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95950550 _cell_length_b 12.53492494 _cell_length_c 3.54213085 _cell_angle_alpha 90.00249738 _cell_angle_beta 90.00147013 _cell_angle_gamma 89.56068542 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Mg(CuO2)4 _chemical_formula_sum 'Ba4 Mg1 Cu4 O8' _cell_volume 264.59631815 _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 0.24182400 0.12245500 0.50024700 1.0 Ba Ba1 1 0.25823400 0.37799400 0.49972400 1.0 Ba Ba2 1 0.74419700 0.89933300 0.50016700 1.0 Ba Ba3 1 0.75580800 0.60110600 0.49970000 1.0 Mg Mg4 1 0.24999100 0.75025300 0.50014700 1.0 Cu Cu5 1 0.24487300 0.90608900 0.00020700 1.0 Cu Cu6 1 0.25508200 0.59436100 0.99999700 1.0 Cu Cu7 1 0.74644900 0.13475400 0.00003600 1.0 Cu Cu8 1 0.75356700 0.36563200 0.99976000 1.0 O O9 1 0.03162600 0.74898100 0.99975600 1.0 O O10 1 0.97790200 0.24981300 0.99984900 1.0 O O11 1 0.99957900 0.48960200 0.99981400 1.0 O O12 1 0.50042100 0.01086000 0.00012500 1.0 O O13 1 0.46828400 0.75167100 0.00073300 1.0 O O14 1 0.52214500 0.25060200 0.99974900 1.0 O O15 1 0.51436700 0.48973200 0.99972800 1.0 O O16 1 0.98564900 0.01076100 0.00025900 1.0