# generated using pymatgen data_RbTiI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.13681755 _cell_length_b 14.13681755 _cell_length_c 7.00956200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999791 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbTiI3 _chemical_formula_sum 'Rb6 Ti6 I18' _cell_volume 1213.17884471 _cell_formula_units_Z 6 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 0.67011800 0.67011800 0.78616300 1.0 Rb Rb1 1 0.00000000 0.67011800 0.28616300 1.0 Rb Rb2 1 0.67011800 0.00000000 0.28616300 1.0 Rb Rb3 1 0.32988200 0.00000000 0.78616300 1.0 Rb Rb4 1 0.00000000 0.32988200 0.78616300 1.0 Rb Rb5 1 0.32988200 0.32988200 0.28616300 1.0 Ti Ti6 1 0.66666700 0.33333300 0.08657200 1.0 Ti Ti7 1 0.33333300 0.66666700 0.58657200 1.0 Ti Ti8 1 0.66666700 0.33333300 0.58657200 1.0 Ti Ti9 1 0.33333300 0.66666700 0.08657200 1.0 Ti Ti10 1 0.00000000 0.00000000 0.49427100 1.0 Ti Ti11 1 0.00000000 0.00000000 0.99427100 1.0 I I12 1 0.16283400 0.00000000 0.24311500 1.0 I I13 1 0.16283400 0.16283400 0.74311500 1.0 I I14 1 0.00000000 0.83716600 0.74311500 1.0 I I15 1 0.00000000 0.16283400 0.24311500 1.0 I I16 1 0.83716600 0.83716600 0.24311500 1.0 I I17 1 0.83716600 0.00000000 0.74311500 1.0 I I18 1 0.50409900 0.17119600 0.33712600 1.0 I I19 1 0.33290300 0.50409900 0.83712600 1.0 I I20 1 0.17119600 0.66709700 0.83712600 1.0 I I21 1 0.82880400 0.33290300 0.33712600 1.0 I I22 1 0.66709700 0.49590100 0.33712600 1.0 I I23 1 0.49590100 0.82880400 0.83712600 1.0 I I24 1 0.66709700 0.17119600 0.83712600 1.0 I I25 1 0.50409900 0.33290300 0.83712600 1.0 I I26 1 0.82880400 0.49590100 0.83712600 1.0 I I27 1 0.17119600 0.50409900 0.33712600 1.0 I I28 1 0.33290300 0.82880400 0.33712600 1.0 I I29 1 0.49590100 0.66709700 0.33712600 1.0