# generated using pymatgen data_Mg6NbGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96852100 _cell_length_b 5.95137900 _cell_length_c 10.99473900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6NbGa _chemical_formula_sum 'Mg12 Nb2 Ga2' _cell_volume 325.10950153 _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 0.24905500 0.42180300 1.0 Mg Mg1 1 0.50000000 0.75094500 0.42180300 1.0 Mg Mg2 1 0.00000000 0.75777000 0.08275400 1.0 Mg Mg3 1 0.00000000 0.24223000 0.08275400 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32494800 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32493000 1.0 Mg Mg6 1 0.50000000 0.74905500 0.92180300 1.0 Mg Mg7 1 0.50000000 0.25094500 0.92180300 1.0 Mg Mg8 1 0.00000000 0.25777000 0.58275400 1.0 Mg Mg9 1 0.00000000 0.74223000 0.58275400 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82494800 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82493000 1.0 Nb Nb12 1 0.50000000 0.00000000 0.17306400 1.0 Nb Nb13 1 0.50000000 0.50000000 0.67306400 1.0 Ga Ga14 1 0.50000000 0.50000000 0.16794000 1.0 Ga Ga15 1 0.50000000 0.00000000 0.66794000 1.0