# generated using pymatgen data_Mg6NbCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81643700 _cell_length_b 5.97397700 _cell_length_c 10.94878300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6NbCu _chemical_formula_sum 'Mg12 Nb2 Cu2' _cell_volume 315.03244118 _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 0.50000000 0.25029600 0.42510200 1.0 Mg Mg1 1 0.50000000 0.74970400 0.42510200 1.0 Mg Mg2 1 0.00000000 0.74639300 0.08326700 1.0 Mg Mg3 1 0.00000000 0.25360700 0.08326700 1.0 Mg Mg4 1 0.00000000 0.00000000 0.31508900 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32714600 1.0 Mg Mg6 1 0.50000000 0.75029600 0.92510200 1.0 Mg Mg7 1 0.50000000 0.24970400 0.92510200 1.0 Mg Mg8 1 0.00000000 0.24639300 0.58326700 1.0 Mg Mg9 1 0.00000000 0.75360700 0.58326700 1.0 Mg Mg10 1 0.00000000 0.50000000 0.81508900 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82714600 1.0 Nb Nb12 1 0.50000000 0.50000000 0.17680100 1.0 Nb Nb13 1 0.50000000 0.00000000 0.67680100 1.0 Cu Cu14 1 0.50000000 0.00000000 0.16422200 1.0 Cu Cu15 1 0.50000000 0.50000000 0.66422200 1.0