# generated using pymatgen data_RbTl(FeSe)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.26357344 _cell_length_b 16.26357344 _cell_length_c 16.26357344 _cell_angle_alpha 161.85167029 _cell_angle_beta 161.85167029 _cell_angle_gamma 25.77525339 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbTl(FeSe)8 _chemical_formula_sum 'Rb1 Tl1 Fe8 Se8' _cell_volume 417.21662152 _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 Rb Rb0 1 0.25000000 0.75000000 0.50000000 1.0 Tl Tl1 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe2 1 0.87374700 0.87376700 0.50042300 1.0 Fe Fe3 1 0.12623300 0.62665600 0.99998000 1.0 Fe Fe4 1 0.62667600 0.12625300 0.00002000 1.0 Fe Fe5 1 0.37334400 0.37332400 0.49957700 1.0 Fe Fe6 1 0.37334400 0.87376700 0.00002000 1.0 Fe Fe7 1 0.62667600 0.62665600 0.50042300 1.0 Fe Fe8 1 0.12623300 0.12625300 0.49957700 1.0 Fe Fe9 1 0.87374700 0.37332400 0.99998000 1.0 Se Se10 1 0.57183600 0.07183600 0.50000000 1.0 Se Se11 1 0.82477200 0.82477200 0.00000000 1.0 Se Se12 1 0.32506900 0.32506900 0.00000000 1.0 Se Se13 1 0.07160200 0.57160200 0.50000000 1.0 Se Se14 1 0.67493100 0.67493100 0.00000000 1.0 Se Se15 1 0.92816400 0.42816400 0.50000000 1.0 Se Se16 1 0.42839800 0.92839800 0.50000000 1.0 Se Se17 1 0.17522800 0.17522800 0.00000000 1.0