# generated using pymatgen data_CaMg6Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16090900 _cell_length_b 6.44642200 _cell_length_c 11.52721300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg6Al _chemical_formula_sum 'Ca2 Mg12 Al2' _cell_volume 383.50342926 _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 Ca Ca0 1 0.50000000 0.50000000 0.16850400 1.0 Ca Ca1 1 0.50000000 0.00000000 0.66850400 1.0 Mg Mg2 1 0.50000000 0.25325700 0.41787000 1.0 Mg Mg3 1 0.50000000 0.74674300 0.41787000 1.0 Mg Mg4 1 0.00000000 0.76203500 0.08265400 1.0 Mg Mg5 1 0.00000000 0.23796500 0.08265400 1.0 Mg Mg6 1 0.00000000 0.00000000 0.32941300 1.0 Mg Mg7 1 0.00000000 0.50000000 0.33851800 1.0 Mg Mg8 1 0.50000000 0.75325700 0.91787000 1.0 Mg Mg9 1 0.50000000 0.24674300 0.91787000 1.0 Mg Mg10 1 0.00000000 0.26203500 0.58265400 1.0 Mg Mg11 1 0.00000000 0.73796500 0.58265400 1.0 Mg Mg12 1 0.00000000 0.50000000 0.82941300 1.0 Mg Mg13 1 0.00000000 0.00000000 0.83851800 1.0 Al Al14 1 0.50000000 0.00000000 0.16251100 1.0 Al Al15 1 0.50000000 0.50000000 0.66251100 1.0