# generated using pymatgen data_Ce2InCuSe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09403900 _cell_length_b 12.11952700 _cell_length_c 17.35050800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2InCuSe5 _chemical_formula_sum 'Ce8 In4 Cu4 Se20' _cell_volume 860.89431691 _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 0.25000000 0.13664900 0.40555800 1.0 Ce Ce1 1 0.75000000 0.02434200 0.82060300 1.0 Ce Ce2 1 0.25000000 0.63664900 0.09444200 1.0 Ce Ce3 1 0.75000000 0.36335100 0.90555800 1.0 Ce Ce4 1 0.25000000 0.47565800 0.32060300 1.0 Ce Ce5 1 0.25000000 0.97565800 0.17939700 1.0 Ce Ce6 1 0.75000000 0.86335100 0.59444200 1.0 Ce Ce7 1 0.75000000 0.52434200 0.67939700 1.0 In In8 1 0.25000000 0.69089200 0.86060200 1.0 In In9 1 0.75000000 0.80910800 0.36060200 1.0 In In10 1 0.75000000 0.30910800 0.13939800 1.0 In In11 1 0.25000000 0.19089200 0.63939800 1.0 Cu Cu12 1 0.25000000 0.07933900 0.00466900 1.0 Cu Cu13 1 0.25000000 0.57933900 0.49533100 1.0 Cu Cu14 1 0.75000000 0.42066100 0.50466900 1.0 Cu Cu15 1 0.75000000 0.92066100 0.99533100 1.0 Se Se16 1 0.75000000 0.10667700 0.53570500 1.0 Se Se17 1 0.75000000 0.26324400 0.73197300 1.0 Se Se18 1 0.75000000 0.51811700 0.19563200 1.0 Se Se19 1 0.25000000 0.68316700 0.61374400 1.0 Se Se20 1 0.25000000 0.89332300 0.46429500 1.0 Se Se21 1 0.75000000 0.31683300 0.38625600 1.0 Se Se22 1 0.25000000 0.23675600 0.23197300 1.0 Se Se23 1 0.75000000 0.09895000 0.07935500 1.0 Se Se24 1 0.25000000 0.48188300 0.80436800 1.0 Se Se25 1 0.25000000 0.40105000 0.57935500 1.0 Se Se26 1 0.75000000 0.60667700 0.96429500 1.0 Se Se27 1 0.75000000 0.01811700 0.30436800 1.0 Se Se28 1 0.25000000 0.18316700 0.88625600 1.0 Se Se29 1 0.25000000 0.90105000 0.92064500 1.0 Se Se30 1 0.25000000 0.73675600 0.26802700 1.0 Se Se31 1 0.75000000 0.59895000 0.42064500 1.0 Se Se32 1 0.75000000 0.81683300 0.11374400 1.0 Se Se33 1 0.75000000 0.76324400 0.76802700 1.0 Se Se34 1 0.25000000 0.98188300 0.69563200 1.0 Se Se35 1 0.25000000 0.39332300 0.03570500 1.0