# generated using pymatgen data_MgCuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86003200 _cell_length_b 8.07373105 _cell_length_c 8.32574607 _cell_angle_alpha 89.48269052 _cell_angle_beta 98.99157193 _cell_angle_gamma 99.87204803 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCuO2 _chemical_formula_sum 'Mg4 Cu4 O8' _cell_volume 187.04552640 _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 0.29630800 0.40612100 0.71676200 1.0 Mg Mg1 1 0.70369200 0.59387900 0.28323800 1.0 Mg Mg2 1 0.51640700 0.72421200 0.87124000 1.0 Mg Mg3 1 0.48359300 0.27578800 0.12876000 1.0 Cu Cu4 1 0.08049800 0.20924500 0.43170500 1.0 Cu Cu5 1 0.68914800 0.07817300 0.82268600 1.0 Cu Cu6 1 0.31085200 0.92182700 0.17731400 1.0 Cu Cu7 1 0.91950200 0.79075500 0.56829500 1.0 O O8 1 0.32147700 0.71473100 0.42815200 1.0 O O9 1 0.91660700 0.08424000 0.23086900 1.0 O O10 1 0.08339300 0.91576000 0.76913100 1.0 O O11 1 0.67852300 0.28526900 0.57184800 1.0 O O12 1 0.09337800 0.42833100 0.20983200 1.0 O O13 1 0.29354900 0.22542200 0.89233300 1.0 O O14 1 0.90662200 0.57166900 0.79016800 1.0 O O15 1 0.70645100 0.77457800 0.10766700 1.0