# generated using pymatgen data_CeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.33431704 _cell_length_b 14.33431704 _cell_length_c 5.80965300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000479 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeSe2 _chemical_formula_sum 'Ce6 Se12' _cell_volume 1033.79592438 _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 Ce Ce0 1 0.00000000 0.66371700 0.27104100 1.0 Ce Ce1 1 0.66371700 0.00000000 0.27104100 1.0 Ce Ce2 1 0.33628300 0.33628300 0.27104100 1.0 Ce Ce3 1 0.00000000 0.33628300 0.72895900 1.0 Ce Ce4 1 0.33628300 0.00000000 0.72895900 1.0 Ce Ce5 1 0.66371700 0.66371700 0.72895900 1.0 Se Se6 1 0.00000000 0.50000000 0.50000000 1.0 Se Se7 1 0.50000000 0.00000000 0.50000000 1.0 Se Se8 1 0.50000000 0.50000000 0.50000000 1.0 Se Se9 1 0.16735200 0.83264800 0.50000000 1.0 Se Se10 1 0.66529600 0.83264800 0.50000000 1.0 Se Se11 1 0.16735200 0.33470400 0.50000000 1.0 Se Se12 1 0.83264800 0.66529600 0.50000000 1.0 Se Se13 1 0.83264800 0.16735200 0.50000000 1.0 Se Se14 1 0.33470400 0.16735200 0.50000000 1.0 Se Se15 1 0.00000000 0.50000000 0.00000000 1.0 Se Se16 1 0.50000000 0.00000000 0.00000000 1.0 Se Se17 1 0.50000000 0.50000000 0.00000000 1.0