# generated using pymatgen data_K(Ti3Se4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19934978 _cell_length_b 9.90629137 _cell_length_c 10.54048080 _cell_angle_alpha 118.01377568 _cell_angle_beta 109.97082327 _cell_angle_gamma 90.00453481 _symmetry_Int_Tables_number 1 _chemical_formula_structural K(Ti3Se4)4 _chemical_formula_sum 'K1 Ti12 Se16' _cell_volume 611.97005759 _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 K K0 1 -0.00000000 -0.00000000 -0.00000000 1.0 Ti Ti1 1 0.55709203 0.35725104 0.86647288 1.0 Ti Ti2 1 0.05928420 0.35750074 0.86690991 1.0 Ti Ti3 1 0.37212774 0.13273547 0.49112464 1.0 Ti Ti4 1 0.86828809 0.13368448 0.49039651 1.0 Ti Ti5 1 0.44483175 0.50949470 0.64343100 1.0 Ti Ti6 1 0.94723800 0.50880842 0.64157770 1.0 Ti Ti7 1 0.94071580 0.64249926 0.13309009 1.0 Ti Ti8 1 0.44290797 0.64274896 0.13352712 1.0 Ti Ti9 1 0.13171191 0.86631552 0.50960349 1.0 Ti Ti10 1 0.62787226 0.86726453 0.50887536 1.0 Ti Ti11 1 0.05276200 0.49119158 0.35842230 1.0 Ti Ti12 1 0.55516825 0.49050530 0.35656900 1.0 Se Se13 1 0.97291653 0.04781864 0.69475030 1.0 Se Se14 1 0.47344025 0.04800323 0.69656360 1.0 Se Se15 1 0.80063483 0.30347551 0.35128488 1.0 Se Se16 1 0.30230977 0.30533306 0.35329669 1.0 Se Se17 1 0.10185358 0.64704283 0.95197568 1.0 Se Se18 1 0.60072818 0.64815232 0.95220537 1.0 Se Se19 1 0.52655975 0.95199677 0.30343640 1.0 Se Se20 1 0.02708347 0.95218136 0.30524970 1.0 Se Se21 1 0.69769023 0.69466694 0.64670331 1.0 Se Se22 1 0.19936517 0.69652449 0.64871512 1.0 Se Se23 1 0.39927182 0.35184768 0.04779463 1.0 Se Se24 1 0.89814642 0.35295717 0.04802432 1.0 Se Se25 1 0.79226392 0.66758017 0.33390326 1.0 Se Se26 1 0.29152322 0.66606592 0.33287248 1.0 Se Se27 1 0.70847678 0.33393408 0.66712752 1.0 Se Se28 1 0.20773608 0.33241983 0.66609674 1.0