# generated using pymatgen data_Ce2MgSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.48602303 _cell_length_b 4.14391339 _cell_length_c 14.52319077 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2MgSe4 _chemical_formula_sum 'Ce8 Mg4 Se16' _cell_volume 811.62722960 _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 Ce Ce0 1 0.11889184 0.25000000 0.07273468 1.0 Ce Ce1 1 0.88110816 0.75000000 0.92726532 1.0 Ce Ce2 1 0.38110816 0.75000000 0.57273468 1.0 Ce Ce3 1 0.61889184 0.25000000 0.42726532 1.0 Ce Ce4 1 0.13456810 0.25000000 0.70428999 1.0 Ce Ce5 1 0.86543190 0.75000000 0.29571001 1.0 Ce Ce6 1 0.36543190 0.75000000 0.20428999 1.0 Ce Ce7 1 0.63456810 0.25000000 0.79571001 1.0 Mg Mg8 1 0.10747809 0.75000000 0.46214974 1.0 Mg Mg9 1 0.89252191 0.25000000 0.53785026 1.0 Mg Mg10 1 0.39252191 0.25000000 0.96214974 1.0 Mg Mg11 1 0.60747809 0.75000000 0.03785026 1.0 Se Se12 1 0.00108071 0.75000000 0.61466072 1.0 Se Se13 1 0.99891929 0.25000000 0.38533928 1.0 Se Se14 1 0.49891929 0.25000000 0.11466072 1.0 Se Se15 1 0.50108071 0.75000000 0.88533928 1.0 Se Se16 1 0.02878763 0.25000000 0.88459322 1.0 Se Se17 1 0.97121237 0.75000000 0.11540678 1.0 Se Se18 1 0.47121237 0.75000000 0.38459322 1.0 Se Se19 1 0.52878763 0.25000000 0.61540678 1.0 Se Se20 1 0.22653308 0.25000000 0.24599801 1.0 Se Se21 1 0.77346692 0.75000000 0.75400199 1.0 Se Se22 1 0.27346692 0.75000000 0.74599801 1.0 Se Se23 1 0.72653308 0.25000000 0.25400199 1.0 Se Se24 1 0.26802407 0.75000000 0.01434162 1.0 Se Se25 1 0.73197593 0.25000000 0.98565838 1.0 Se Se26 1 0.23197593 0.25000000 0.51434162 1.0 Se Se27 1 0.76802407 0.75000000 0.48565838 1.0