# generated using pymatgen data_Mg6NbAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99076300 _cell_length_b 5.97829000 _cell_length_c 10.95921900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6NbAl _chemical_formula_sum 'Mg12 Nb2 Al2' _cell_volume 326.98176265 _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 0.25121000 0.41935900 1.0 Mg Mg1 1 0.50000000 0.74879000 0.41935900 1.0 Mg Mg2 1 0.00000000 0.74306800 0.08470400 1.0 Mg Mg3 1 0.00000000 0.25693200 0.08470400 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32886300 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32507100 1.0 Mg Mg6 1 0.50000000 0.75121000 0.91935900 1.0 Mg Mg7 1 0.50000000 0.24879000 0.91935900 1.0 Mg Mg8 1 0.00000000 0.24306800 0.58470400 1.0 Mg Mg9 1 0.00000000 0.75693200 0.58470400 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82886300 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82507100 1.0 Nb Nb12 1 0.50000000 0.50000000 0.17117400 1.0 Nb Nb13 1 0.50000000 0.00000000 0.67117400 1.0 Al Al14 1 0.50000000 0.00000000 0.16676200 1.0 Al Al15 1 0.50000000 0.50000000 0.66676200 1.0