# generated using pymatgen data_Rb(Ti3S4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.10935871 _cell_length_b 10.10935896 _cell_length_c 9.51081390 _cell_angle_alpha 61.93036989 _cell_angle_beta 61.93037016 _cell_angle_gamma 39.51123938 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb(Ti3S4)4 _chemical_formula_sum 'Rb1 Ti12 S16' _cell_volume 535.57186937 _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 0.37486707 0.37486707 0.99979758 1.0 Ti Ti1 1 0.94248076 0.94248076 0.51282476 1.0 Ti Ti2 1 0.44258764 0.44258764 0.51270230 1.0 Ti Ti3 1 0.13062273 0.13062273 0.35409511 1.0 Ti Ti4 1 0.63217741 0.63217741 0.35038740 1.0 Ti Ti5 1 0.05010474 0.05010474 0.13565125 1.0 Ti Ti6 1 0.55206496 0.55206496 0.13478835 1.0 Ti Ti7 1 0.05683481 0.55846222 0.48916178 1.0 Ti Ti8 1 0.55846222 0.05683481 0.48916178 1.0 Ti Ti9 1 0.87124686 0.36786393 0.64553886 1.0 Ti Ti10 1 0.36786393 0.87124686 0.64553886 1.0 Ti Ti11 1 0.94638243 0.44923070 0.86512348 1.0 Ti Ti12 1 0.44923070 0.94638243 0.86512348 1.0 S S13 1 0.53170901 0.53170901 0.63753137 1.0 S S14 1 0.02969222 0.02969222 0.64241221 1.0 S S15 1 0.69633014 0.69633014 0.04757041 1.0 S S16 1 0.19353157 0.19353157 0.04944937 1.0 S S17 1 0.39977042 0.39977042 0.31242429 1.0 S S18 1 0.89888745 0.89888745 0.31054904 1.0 S S19 1 0.47050467 0.97153695 0.35663624 1.0 S S20 1 0.97153695 0.47050467 0.35663624 1.0 S S21 1 0.30372526 0.80301082 0.95148270 1.0 S S22 1 0.80301082 0.30372526 0.95148270 1.0 S S23 1 0.60082119 0.10054143 0.69196964 1.0 S S24 1 0.10054143 0.60082119 0.69196964 1.0 S S25 1 0.70810350 0.70810350 0.66644324 1.0 S S26 1 0.20853657 0.20853657 0.66678672 1.0 S S27 1 0.29162828 0.79174227 0.33337960 1.0 S S28 1 0.79174227 0.29162828 0.33337960 1.0