# generated using pymatgen data_Mg2TaCuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51650300 _cell_length_b 5.16164000 _cell_length_c 5.43788915 _cell_angle_alpha 86.51290146 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TaCuO6 _chemical_formula_sum 'Mg4 Ta2 Cu2 O12' _cell_volume 210.58579050 _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 0.75000000 0.97310400 0.05105900 1.0 Mg Mg1 1 0.75000000 0.50622600 0.57175600 1.0 Mg Mg2 1 0.25000000 0.49377400 0.42824400 1.0 Mg Mg3 1 0.25000000 0.02689600 0.94894100 1.0 Ta Ta4 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta5 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu6 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu7 1 0.50000000 0.50000000 0.00000000 1.0 O O8 1 0.43456900 0.18176300 0.18168500 1.0 O O9 1 0.57071600 0.69398300 0.32525800 1.0 O O10 1 0.56543100 0.81823700 0.81831500 1.0 O O11 1 0.07071600 0.30601700 0.67474200 1.0 O O12 1 0.25000000 0.86386800 0.55119200 1.0 O O13 1 0.42928400 0.30601700 0.67474200 1.0 O O14 1 0.92928400 0.69398300 0.32525800 1.0 O O15 1 0.06543100 0.18176300 0.18168500 1.0 O O16 1 0.75000000 0.36741900 0.93583300 1.0 O O17 1 0.93456900 0.81823700 0.81831500 1.0 O O18 1 0.25000000 0.63258100 0.06416700 1.0 O O19 1 0.75000000 0.13613200 0.44880800 1.0