# generated using pymatgen data_Rb(TiS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02233651 _cell_length_b 6.93894749 _cell_length_c 16.16492153 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb(TiS2)2 _chemical_formula_sum 'Rb4 Ti8 S16' _cell_volume 675.51068192 _cell_formula_units_Z 4 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 0.35603854 0.00000000 0.00000000 1.0 Rb Rb1 1 0.64396146 0.50000000 0.50000000 1.0 Rb Rb2 1 0.03274631 0.00000000 0.50000000 1.0 Rb Rb3 1 0.96725369 0.50000000 0.00000000 1.0 Ti Ti4 1 0.00176433 0.00000000 0.24910417 1.0 Ti Ti5 1 0.00176433 0.00000000 0.75089583 1.0 Ti Ti6 1 0.99823567 0.50000000 0.25089583 1.0 Ti Ti7 1 0.99823567 0.50000000 0.74910417 1.0 Ti Ti8 1 0.50000000 0.25000000 0.25000000 1.0 Ti Ti9 1 0.50000000 0.75000000 0.75000000 1.0 Ti Ti10 1 0.50000000 0.75000000 0.25000000 1.0 Ti Ti11 1 0.50000000 0.25000000 0.75000000 1.0 S S12 1 0.83373075 0.24916635 0.33782202 1.0 S S13 1 0.83373075 0.75083365 0.66217798 1.0 S S14 1 0.16626925 0.74916635 0.16217798 1.0 S S15 1 0.16626925 0.25083365 0.83782202 1.0 S S16 1 0.16626925 0.25083365 0.16217798 1.0 S S17 1 0.16626925 0.74916635 0.83782202 1.0 S S18 1 0.83373075 0.75083365 0.33782202 1.0 S S19 1 0.83373075 0.24916635 0.66217798 1.0 S S20 1 0.67081825 0.00000000 0.16289199 1.0 S S21 1 0.67081825 0.00000000 0.83710801 1.0 S S22 1 0.32918175 0.50000000 0.33710801 1.0 S S23 1 0.32918175 0.50000000 0.66289199 1.0 S S24 1 0.33667741 0.00000000 0.33644997 1.0 S S25 1 0.33667741 0.00000000 0.66355003 1.0 S S26 1 0.66332259 0.50000000 0.16355003 1.0 S S27 1 0.66332259 0.50000000 0.83644997 1.0