# generated using pymatgen data_LiMg6Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98073600 _cell_length_b 6.22015200 _cell_length_c 10.84427200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMg6Nb _chemical_formula_sum 'Li2 Mg12 Nb2' _cell_volume 335.96568587 _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 Li Li0 1 0.00000000 0.50000000 0.32875700 1.0 Li Li1 1 0.00000000 0.00000000 0.82875700 1.0 Mg Mg2 1 0.00000000 0.26170800 0.08781200 1.0 Mg Mg3 1 0.00000000 0.73829200 0.08781200 1.0 Mg Mg4 1 0.00000000 0.00000000 0.33324400 1.0 Mg Mg5 1 0.50000000 0.74464600 0.41633300 1.0 Mg Mg6 1 0.50000000 0.25535400 0.41633300 1.0 Mg Mg7 1 0.50000000 0.00000000 0.16507600 1.0 Mg Mg8 1 0.00000000 0.76170800 0.58781200 1.0 Mg Mg9 1 0.00000000 0.23829200 0.58781200 1.0 Mg Mg10 1 0.00000000 0.50000000 0.83324400 1.0 Mg Mg11 1 0.50000000 0.24464600 0.91633300 1.0 Mg Mg12 1 0.50000000 0.75535400 0.91633300 1.0 Mg Mg13 1 0.50000000 0.50000000 0.66507600 1.0 Nb Nb14 1 0.50000000 0.50000000 0.16463400 1.0 Nb Nb15 1 0.50000000 0.00000000 0.66463400 1.0