# generated using pymatgen data_MgCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40937659 _cell_length_b 5.40937632 _cell_length_c 15.09388223 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000172 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCd2 _chemical_formula_sum 'Mg6 Cd12' _cell_volume 382.49520393 _cell_formula_units_Z 6 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 -0.00000000 0.16708889 1.0 Mg Mg1 1 0.66666700 0.33333300 0.16624511 1.0 Mg Mg2 1 0.66666700 0.33333300 0.50042189 1.0 Mg Mg3 1 0.33333300 0.66666700 0.49957811 1.0 Mg Mg4 1 0.33333300 0.66666700 0.83375489 1.0 Mg Mg5 1 -0.00000000 -0.00000000 0.83291111 1.0 Cd Cd6 1 0.66669192 0.66669192 -0.00000000 1.0 Cd Cd7 1 0.00000000 0.33330808 -0.00000000 1.0 Cd Cd8 1 0.33333300 0.66666700 0.16666700 1.0 Cd Cd9 1 0.33330808 -0.00000000 -0.00000000 1.0 Cd Cd10 1 0.33335792 0.00002492 0.33333300 1.0 Cd Cd11 1 0.66666700 0.66664208 0.33333300 1.0 Cd Cd12 1 -0.00000000 -0.00000000 0.50000000 1.0 Cd Cd13 1 0.99997508 0.33333300 0.33333300 1.0 Cd Cd14 1 0.00002492 0.33335792 0.66666700 1.0 Cd Cd15 1 0.33333300 0.99997508 0.66666700 1.0 Cd Cd16 1 0.66666700 0.33333300 0.83333300 1.0 Cd Cd17 1 0.66664208 0.66666700 0.66666700 1.0