# generated using pymatgen data_K(ZrSe2)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60229977 _cell_length_b 7.60230108 _cell_length_c 14.84455966 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999866 _symmetry_Int_Tables_number 1 _chemical_formula_structural K(ZrSe2)8 _chemical_formula_sum 'K1 Zr8 Se16' _cell_volume 742.99862947 _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 K K0 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr1 1 0.50079719 0.49920281 0.72419619 1.0 Zr Zr2 1 0.49920281 0.50079719 0.27580381 1.0 Zr Zr3 1 0.50079719 0.00159438 0.72419619 1.0 Zr Zr4 1 0.49920281 0.99840562 0.27580381 1.0 Zr Zr5 1 0.99840562 0.49920281 0.72419619 1.0 Zr Zr6 1 0.00159438 0.50079719 0.27580381 1.0 Zr Zr7 1 0.00000000 0.00000000 0.72250548 1.0 Zr Zr8 1 0.00000000 0.00000000 0.27749452 1.0 Se Se9 1 0.83308792 0.66617885 0.16886910 1.0 Se Se10 1 0.83317000 0.66634101 0.61848625 1.0 Se Se11 1 0.83308792 0.16691208 0.16886910 1.0 Se Se12 1 0.83317000 0.16683000 0.61848625 1.0 Se Se13 1 0.33333300 0.66666700 0.16863514 1.0 Se Se14 1 0.33333300 0.66666700 0.62002521 1.0 Se Se15 1 0.33382115 0.16691208 0.16886910 1.0 Se Se16 1 0.33365899 0.16683000 0.61848625 1.0 Se Se17 1 0.66617885 0.83308792 0.83113090 1.0 Se Se18 1 0.66634101 0.83317000 0.38151375 1.0 Se Se19 1 0.66666700 0.33333300 0.83136486 1.0 Se Se20 1 0.66666700 0.33333300 0.37997479 1.0 Se Se21 1 0.16691208 0.83308792 0.83113090 1.0 Se Se22 1 0.16683000 0.83317000 0.38151375 1.0 Se Se23 1 0.16691208 0.33382115 0.83113090 1.0 Se Se24 1 0.16683000 0.33365899 0.38151375 1.0