# generated using pymatgen data_Mg6AlC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97977100 _cell_length_b 5.89674400 _cell_length_c 10.35726300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6AlC _chemical_formula_sum 'Mg12 Al2 C2' _cell_volume 304.13517371 _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 0.25998300 0.08833400 1.0 Mg Mg1 1 0.00000000 0.74001700 0.08833400 1.0 Mg Mg2 1 0.00000000 0.00000000 0.33303800 1.0 Mg Mg3 1 0.50000000 0.74701200 0.41359200 1.0 Mg Mg4 1 0.50000000 0.25298800 0.41359200 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16696200 1.0 Mg Mg6 1 0.00000000 0.75998300 0.58833400 1.0 Mg Mg7 1 0.00000000 0.24001700 0.58833400 1.0 Mg Mg8 1 0.00000000 0.50000000 0.83303800 1.0 Mg Mg9 1 0.50000000 0.24701200 0.91359200 1.0 Mg Mg10 1 0.50000000 0.75298800 0.91359200 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66696200 1.0 Al Al12 1 0.00000000 0.50000000 0.33091500 1.0 Al Al13 1 0.00000000 0.00000000 0.83091500 1.0 C C14 1 0.50000000 0.50000000 0.16523300 1.0 C C15 1 0.50000000 0.00000000 0.66523300 1.0