# generated using pymatgen data_Rb(Ti3Se4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15966356 _cell_length_b 9.93871836 _cell_length_c 10.56390314 _cell_angle_alpha 118.07076977 _cell_angle_beta 109.80352963 _cell_angle_gamma 89.98412953 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb(Ti3Se4)4 _chemical_formula_sum 'Rb1 Ti12 Se16' _cell_volume 612.47911405 _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 0.55787165 0.35882886 0.86808807 1.0 Ti Ti2 1 0.05988594 0.35799480 0.86825178 1.0 Ti Ti3 1 0.37249414 0.13131324 0.49091803 1.0 Ti Ti4 1 0.86746123 0.13238513 0.48922852 1.0 Ti Ti5 1 0.44491592 0.51067363 0.64342911 1.0 Ti Ti6 1 0.94653429 0.50899650 0.64036155 1.0 Ti Ti7 1 0.94011406 0.64200520 0.13174822 1.0 Ti Ti8 1 0.44212835 0.64117114 0.13191193 1.0 Ti Ti9 1 0.13253877 0.86761487 0.51077148 1.0 Ti Ti10 1 0.62750586 0.86868676 0.50908197 1.0 Ti Ti11 1 0.05346571 0.49100350 0.35963845 1.0 Ti Ti12 1 0.55508408 0.48932637 0.35657089 1.0 Se Se13 1 0.97241339 0.04913471 0.69431728 1.0 Se Se14 1 0.47395346 0.04899593 0.69757743 1.0 Se Se15 1 0.80049394 0.30276902 0.35114330 1.0 Se Se16 1 0.30307005 0.30584692 0.35524446 1.0 Se Se17 1 0.10171562 0.64535691 0.95043771 1.0 Se Se18 1 0.60075120 0.64877623 0.95184662 1.0 Se Se19 1 0.52604654 0.95100407 0.30242257 1.0 Se Se20 1 0.02758661 0.95086529 0.30568272 1.0 Se Se21 1 0.69692995 0.69415308 0.64475554 1.0 Se Se22 1 0.19950606 0.69723098 0.64885670 1.0 Se Se23 1 0.39924880 0.35122377 0.04815338 1.0 Se Se24 1 0.89828438 0.35464309 0.04956229 1.0 Se Se25 1 0.79217930 0.66760833 0.33406121 1.0 Se Se26 1 0.29130177 0.66575563 0.33258549 1.0 Se Se27 1 0.70869823 0.33424437 0.66741451 1.0 Se Se28 1 0.20782070 0.33239167 0.66593879 1.0