# generated using pymatgen data_Rb(TiS2)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85037727 _cell_length_b 6.85037764 _cell_length_c 14.30739545 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999342 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb(TiS2)8 _chemical_formula_sum 'Rb1 Ti8 S16' _cell_volume 581.46053675 _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 0.00000000 0.00000000 0.00000000 1.0 Ti Ti1 1 0.50057625 0.49942375 0.70684653 1.0 Ti Ti2 1 0.49942375 0.50057625 0.29315347 1.0 Ti Ti3 1 0.50057625 0.00115149 0.70684653 1.0 Ti Ti4 1 0.49942375 0.99884851 0.29315347 1.0 Ti Ti5 1 0.99884851 0.49942375 0.70684653 1.0 Ti Ti6 1 0.00115149 0.50057625 0.29315347 1.0 Ti Ti7 1 0.00000000 0.00000000 0.70543453 1.0 Ti Ti8 1 0.00000000 0.00000000 0.29456547 1.0 S S9 1 0.83327962 0.66656023 0.19364225 1.0 S S10 1 0.83307133 0.66614466 0.60911957 1.0 S S11 1 0.83327962 0.16672038 0.19364225 1.0 S S12 1 0.83307133 0.16692867 0.60911957 1.0 S S13 1 0.33333300 0.66666700 0.19316381 1.0 S S14 1 0.33333300 0.66666700 0.61013022 1.0 S S15 1 0.33343977 0.16672038 0.19364225 1.0 S S16 1 0.33385534 0.16692867 0.60911957 1.0 S S17 1 0.66656023 0.83327962 0.80635775 1.0 S S18 1 0.66614466 0.83307133 0.39088043 1.0 S S19 1 0.66666700 0.33333300 0.80683619 1.0 S S20 1 0.66666700 0.33333300 0.38986978 1.0 S S21 1 0.16672038 0.83327962 0.80635775 1.0 S S22 1 0.16692867 0.83307133 0.39088043 1.0 S S23 1 0.16672038 0.33343977 0.80635775 1.0 S S24 1 0.16692867 0.33385534 0.39088043 1.0