# generated using pymatgen data_Cs3(Cu4Se3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03693002 _cell_length_b 9.84070957 _cell_length_c 10.52752697 _cell_angle_alpha 106.63601931 _cell_angle_beta 89.99288850 _cell_angle_gamma 101.83042173 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3(Cu4Se3)2 _chemical_formula_sum 'Cs3 Cu8 Se6' _cell_volume 391.43637396 _cell_formula_units_Z 1 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 Cs Cs0 1 0.50003900 0.00005900 0.99999400 1.0 Cs Cs1 1 0.68801900 0.37609400 0.30439200 1.0 Cs Cs2 1 0.31184800 0.62363300 0.69557900 1.0 Cu Cu3 1 0.29612400 0.59250200 0.07184700 1.0 Cu Cu4 1 0.70372900 0.40724600 0.92806800 1.0 Cu Cu5 1 0.88905600 0.77795200 0.22055300 1.0 Cu Cu6 1 0.11104100 0.22221800 0.77933100 1.0 Cu Cu7 1 0.52492300 0.05002400 0.64547100 1.0 Cu Cu8 1 0.47517400 0.95013400 0.35457900 1.0 Cu Cu9 1 0.08027100 0.16065400 0.53355600 1.0 Cu Cu10 1 0.91981900 0.83953400 0.46667500 1.0 Se Se11 1 0.83867200 0.67757300 0.98553300 1.0 Se Se12 1 0.16129000 0.32239100 0.01452800 1.0 Se Se13 1 0.02997500 0.05988500 0.29924500 1.0 Se Se14 1 0.96999300 0.94000700 0.70070100 1.0 Se Se15 1 0.65229200 0.30465400 0.64893700 1.0 Se Se16 1 0.34773700 0.69544200 0.35101100 1.0