# generated using pymatgen data_Mg6TiNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86348100 _cell_length_b 6.09481600 _cell_length_c 11.22881500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6TiNb _chemical_formula_sum 'Mg12 Ti2 Nb2' _cell_volume 332.84477918 _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 0.25797500 0.07470300 1.0 Mg Mg1 1 0.00000000 0.74202500 0.07470300 1.0 Mg Mg2 1 0.00000000 0.00000000 0.32646300 1.0 Mg Mg3 1 0.50000000 0.74335700 0.42650600 1.0 Mg Mg4 1 0.50000000 0.25664300 0.42650600 1.0 Mg Mg5 1 0.50000000 0.00000000 0.17273900 1.0 Mg Mg6 1 0.00000000 0.75797500 0.57470300 1.0 Mg Mg7 1 0.00000000 0.24202500 0.57470300 1.0 Mg Mg8 1 0.00000000 0.50000000 0.82646300 1.0 Mg Mg9 1 0.50000000 0.24335700 0.92650600 1.0 Mg Mg10 1 0.50000000 0.75664300 0.92650600 1.0 Mg Mg11 1 0.50000000 0.50000000 0.67273900 1.0 Ti Ti12 1 0.00000000 0.50000000 0.29915400 1.0 Ti Ti13 1 0.00000000 0.00000000 0.79915400 1.0 Nb Nb14 1 0.50000000 0.50000000 0.19922400 1.0 Nb Nb15 1 0.50000000 0.00000000 0.69922400 1.0