# generated using pymatgen data_Mg4Cu11O15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03951400 _cell_length_b 9.44412900 _cell_length_c 16.24109000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Cu11O15 _chemical_formula_sum 'Mg8 Cu22 O30' _cell_volume 619.59257009 _cell_formula_units_Z 2 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 0.00000000 0.00000000 0.07408200 1.0 Mg Mg1 1 0.00000000 0.00000000 0.27341100 1.0 Mg Mg2 1 0.00000000 0.00000000 0.47356400 1.0 Mg Mg3 1 0.00000000 0.00000000 0.67354700 1.0 Mg Mg4 1 0.00000000 0.00000000 0.87366300 1.0 Mg Mg5 1 0.50000000 0.50000000 0.12571800 1.0 Mg Mg6 1 0.50000000 0.50000000 0.32685800 1.0 Mg Mg7 1 0.50000000 0.50000000 0.72706300 1.0 Cu Cu8 1 0.00000000 0.33412200 0.03605900 1.0 Cu Cu9 1 0.00000000 0.33553200 0.23457300 1.0 Cu Cu10 1 0.00000000 0.33528400 0.43510700 1.0 Cu Cu11 1 0.00000000 0.33425000 0.63608900 1.0 Cu Cu12 1 0.00000000 0.33515000 0.83540700 1.0 Cu Cu13 1 0.00000000 0.66587800 0.03605900 1.0 Cu Cu14 1 0.00000000 0.66446800 0.23457300 1.0 Cu Cu15 1 0.00000000 0.66471600 0.43510700 1.0 Cu Cu16 1 0.00000000 0.66575000 0.63608900 1.0 Cu Cu17 1 0.00000000 0.66485000 0.83540700 1.0 Cu Cu18 1 0.50000000 0.83495400 0.16467000 1.0 Cu Cu19 1 0.50000000 0.83549900 0.36283000 1.0 Cu Cu20 1 0.50000000 0.83583100 0.56491100 1.0 Cu Cu21 1 0.50000000 0.16504600 0.16467000 1.0 Cu Cu22 1 0.50000000 0.83506100 0.76256100 1.0 Cu Cu23 1 0.50000000 0.83605100 0.96515200 1.0 Cu Cu24 1 0.50000000 0.16450100 0.36283000 1.0 Cu Cu25 1 0.50000000 0.16416900 0.56491100 1.0 Cu Cu26 1 0.50000000 0.50000000 0.52888000 1.0 Cu Cu27 1 0.50000000 0.16394900 0.96515200 1.0 Cu Cu28 1 0.50000000 0.16493900 0.76256100 1.0 Cu Cu29 1 0.50000000 0.50000000 0.92873800 1.0 O O30 1 0.00000000 0.84516900 0.37692600 1.0 O O31 1 0.00000000 0.84538800 0.57689800 1.0 O O32 1 0.00000000 0.84567400 0.17672800 1.0 O O33 1 0.00000000 0.15483100 0.37692600 1.0 O O34 1 0.00000000 0.15432600 0.17672800 1.0 O O35 1 0.00000000 0.15461200 0.57689800 1.0 O O36 1 0.00000000 0.50000000 0.10414800 1.0 O O37 1 0.00000000 0.84518700 0.77721200 1.0 O O38 1 0.00000000 0.50000000 0.30374400 1.0 O O39 1 0.00000000 0.50000000 0.50306500 1.0 O O40 1 0.00000000 0.84577000 0.97723900 1.0 O O41 1 0.00000000 0.15481300 0.77721200 1.0 O O42 1 0.00000000 0.50000000 0.70423900 1.0 O O43 1 0.00000000 0.15423000 0.97723900 1.0 O O44 1 0.00000000 0.50000000 0.90323600 1.0 O O45 1 0.50000000 0.00000000 0.09562500 1.0 O O46 1 0.50000000 0.00000000 0.29373600 1.0 O O47 1 0.50000000 0.00000000 0.49533100 1.0 O O48 1 0.50000000 0.34168500 0.02572800 1.0 O O49 1 0.50000000 0.34590800 0.22307300 1.0 O O50 1 0.50000000 0.65831500 0.02572800 1.0 O O51 1 0.50000000 0.65409200 0.22307300 1.0 O O52 1 0.50000000 0.00000000 0.69409900 1.0 O O53 1 0.50000000 0.00000000 0.89556000 1.0 O O54 1 0.50000000 0.34211600 0.42163700 1.0 O O55 1 0.50000000 0.34148400 0.62586300 1.0 O O56 1 0.50000000 0.65788400 0.42163700 1.0 O O57 1 0.50000000 0.65851600 0.62586300 1.0 O O58 1 0.50000000 0.34214000 0.82218400 1.0 O O59 1 0.50000000 0.65786000 0.82218400 1.0