# generated using pymatgen data_Mg2Cu5O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03821200 _cell_length_b 9.43620300 _cell_length_c 22.72404800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Cu5O7 _chemical_formula_sum 'Mg12 Cu30 O42' _cell_volume 865.90867027 _cell_formula_units_Z 6 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 0.50000000 0.19623600 1.0 Mg Mg1 1 0.00000000 0.50000000 0.33892900 1.0 Mg Mg2 1 0.00000000 0.50000000 0.48158600 1.0 Mg Mg3 1 0.00000000 0.50000000 0.62426800 1.0 Mg Mg4 1 0.00000000 0.50000000 0.76715000 1.0 Mg Mg5 1 0.00000000 0.50000000 0.91009000 1.0 Mg Mg6 1 0.00000000 0.50000000 0.05335100 1.0 Mg Mg7 1 0.50000000 0.00000000 0.08962800 1.0 Mg Mg8 1 0.50000000 0.00000000 0.23228000 1.0 Mg Mg9 1 0.50000000 0.00000000 0.37496900 1.0 Mg Mg10 1 0.50000000 0.00000000 0.80475000 1.0 Mg Mg11 1 0.50000000 0.00000000 0.51868900 1.0 Cu Cu12 1 0.00000000 0.83441700 0.02586300 1.0 Cu Cu13 1 0.00000000 0.83543400 0.16758500 1.0 Cu Cu14 1 0.00000000 0.16558300 0.02586300 1.0 Cu Cu15 1 0.00000000 0.83555300 0.31042700 1.0 Cu Cu16 1 0.00000000 0.16456600 0.16758500 1.0 Cu Cu17 1 0.00000000 0.83587300 0.45322000 1.0 Cu Cu18 1 0.00000000 0.16444700 0.31042700 1.0 Cu Cu19 1 0.00000000 0.83543400 0.59670000 1.0 Cu Cu20 1 0.00000000 0.16412700 0.45322000 1.0 Cu Cu21 1 0.00000000 0.83448900 0.74016900 1.0 Cu Cu22 1 0.00000000 0.16456600 0.59670000 1.0 Cu Cu23 1 0.00000000 0.16551100 0.74016900 1.0 Cu Cu24 1 0.00000000 0.83532900 0.88259000 1.0 Cu Cu25 1 0.00000000 0.16467100 0.88259000 1.0 Cu Cu26 1 0.50000000 0.33534400 0.11778000 1.0 Cu Cu27 1 0.50000000 0.66465600 0.11778000 1.0 Cu Cu28 1 0.50000000 0.00000000 0.66294600 1.0 Cu Cu29 1 0.50000000 0.33547500 0.26070500 1.0 Cu Cu30 1 0.50000000 0.33557500 0.40357100 1.0 Cu Cu31 1 0.50000000 0.66442500 0.40357100 1.0 Cu Cu32 1 0.50000000 0.66452500 0.26070500 1.0 Cu Cu33 1 0.50000000 0.00000000 0.94897300 1.0 Cu Cu34 1 0.50000000 0.33563600 0.54497000 1.0 Cu Cu35 1 0.50000000 0.33593300 0.68908100 1.0 Cu Cu36 1 0.50000000 0.66436400 0.54497000 1.0 Cu Cu37 1 0.50000000 0.66406700 0.68908100 1.0 Cu Cu38 1 0.50000000 0.33520900 0.83045500 1.0 Cu Cu39 1 0.50000000 0.33645500 0.97531300 1.0 Cu Cu40 1 0.50000000 0.66479100 0.83045500 1.0 Cu Cu41 1 0.50000000 0.66354500 0.97531300 1.0 O O42 1 0.00000000 0.00000000 0.07469400 1.0 O O43 1 0.00000000 0.00000000 0.21707200 1.0 O O44 1 0.00000000 0.00000000 0.35994400 1.0 O O45 1 0.00000000 0.00000000 0.50270600 1.0 O O46 1 0.00000000 0.34651200 0.12682800 1.0 O O47 1 0.00000000 0.34630400 0.26957100 1.0 O O48 1 0.00000000 0.00000000 0.64525600 1.0 O O49 1 0.00000000 0.34588800 0.41221300 1.0 O O50 1 0.00000000 0.00000000 0.78898000 1.0 O O51 1 0.00000000 0.34539500 0.55536700 1.0 O O52 1 0.00000000 0.00000000 0.93119700 1.0 O O53 1 0.00000000 0.34582300 0.69803900 1.0 O O54 1 0.00000000 0.34547700 0.84121500 1.0 O O55 1 0.00000000 0.34613000 0.98412700 1.0 O O56 1 0.00000000 0.65369600 0.26957100 1.0 O O57 1 0.00000000 0.65411200 0.41221300 1.0 O O58 1 0.00000000 0.65348800 0.12682800 1.0 O O59 1 0.00000000 0.65460500 0.55536700 1.0 O O60 1 0.00000000 0.65417700 0.69803900 1.0 O O61 1 0.00000000 0.65452300 0.84121500 1.0 O O62 1 0.00000000 0.65387000 0.98412700 1.0 O O63 1 0.50000000 0.84179800 0.01844100 1.0 O O64 1 0.50000000 0.84595600 0.15918100 1.0 O O65 1 0.50000000 0.84622200 0.44441900 1.0 O O66 1 0.50000000 0.84631000 0.30167700 1.0 O O67 1 0.50000000 0.15820200 0.01844100 1.0 O O68 1 0.50000000 0.15404400 0.15918100 1.0 O O69 1 0.50000000 0.50000000 0.06832700 1.0 O O70 1 0.50000000 0.84318100 0.58673800 1.0 O O71 1 0.50000000 0.84268000 0.73191100 1.0 O O72 1 0.50000000 0.15369000 0.30167700 1.0 O O73 1 0.50000000 0.15377800 0.44441900 1.0 O O74 1 0.50000000 0.50000000 0.21120300 1.0 O O75 1 0.50000000 0.50000000 0.35408600 1.0 O O76 1 0.50000000 0.84290900 0.87270000 1.0 O O77 1 0.50000000 0.15681900 0.58673800 1.0 O O78 1 0.50000000 0.15732000 0.73191100 1.0 O O79 1 0.50000000 0.50000000 0.49534400 1.0 O O80 1 0.50000000 0.50000000 0.63931300 1.0 O O81 1 0.50000000 0.50000000 0.78111600 1.0 O O82 1 0.50000000 0.15709100 0.87270000 1.0 O O83 1 0.50000000 0.50000000 0.92520400 1.0