# generated using pymatgen data_MgCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20314887 _cell_length_b 15.71233888 _cell_length_c 5.01855562 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCd2 _chemical_formula_sum 'Mg4 Cd8' _cell_volume 252.57868771 _cell_formula_units_Z 4 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 0.88990076 0.25000000 1.0 Mg Mg1 1 0.50000000 0.61009924 0.75000000 1.0 Mg Mg2 1 0.50000000 0.38990076 0.25000000 1.0 Mg Mg3 1 -0.00000000 0.11009924 0.75000000 1.0 Cd Cd4 1 -0.00000000 0.55471017 0.25000000 1.0 Cd Cd5 1 0.50000000 0.72204465 0.25000000 1.0 Cd Cd6 1 -0.00000000 0.77795535 0.75000000 1.0 Cd Cd7 1 0.50000000 0.94528983 0.75000000 1.0 Cd Cd8 1 0.50000000 0.05471017 0.25000000 1.0 Cd Cd9 1 0.00000000 0.22204465 0.25000000 1.0 Cd Cd10 1 0.50000000 0.27795535 0.75000000 1.0 Cd Cd11 1 -0.00000000 0.44528983 0.75000000 1.0