# generated using pymatgen data_Na(ZrSe2)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60023521 _cell_length_b 7.60023434 _cell_length_c 13.71002604 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999083 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na(ZrSe2)8 _chemical_formula_sum 'Na1 Zr8 Se16' _cell_volume 685.84024775 _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 Na Na0 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr1 1 0.50096699 0.49903301 0.74136427 1.0 Zr Zr2 1 0.49903301 0.50096699 0.25863573 1.0 Zr Zr3 1 0.50096699 0.00193299 0.74136427 1.0 Zr Zr4 1 0.49903301 0.99806701 0.25863573 1.0 Zr Zr5 1 0.99806701 0.49903301 0.74136427 1.0 Zr Zr6 1 0.00193299 0.50096699 0.25863573 1.0 Zr Zr7 1 0.00000000 0.00000000 0.73582886 1.0 Zr Zr8 1 0.00000000 0.00000000 0.26417114 1.0 Se Se9 1 0.83360965 0.66721831 0.14368542 1.0 Se Se10 1 0.83234387 0.66468774 0.62564835 1.0 Se Se11 1 0.83360965 0.16639035 0.14368542 1.0 Se Se12 1 0.83234387 0.16765613 0.62564835 1.0 Se Se13 1 0.33333300 0.66666700 0.14241013 1.0 Se Se14 1 0.33333300 0.66666700 0.62866298 1.0 Se Se15 1 0.33278169 0.16639035 0.14368542 1.0 Se Se16 1 0.33531226 0.16765613 0.62564835 1.0 Se Se17 1 0.66721831 0.83360965 0.85631458 1.0 Se Se18 1 0.66468774 0.83234387 0.37435165 1.0 Se Se19 1 0.66666700 0.33333300 0.85758987 1.0 Se Se20 1 0.66666700 0.33333300 0.37133702 1.0 Se Se21 1 0.16639035 0.83360965 0.85631458 1.0 Se Se22 1 0.16765613 0.83234387 0.37435165 1.0 Se Se23 1 0.16639035 0.33278169 0.85631458 1.0 Se Se24 1 0.16765613 0.33531226 0.37435165 1.0