# generated using pymatgen data_K4Ti7VSe16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28964142 _cell_length_b 7.28118143 _cell_length_c 16.14727079 _cell_angle_alpha 89.99446736 _cell_angle_beta 89.96922891 _cell_angle_gamma 90.02456354 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4Ti7VSe16 _chemical_formula_sum 'K4 Ti7 V1 Se16' _cell_volume 739.48056274 _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 0.35160338 0.99885835 0.00131628 1.0 K K1 1 0.64839662 0.50114165 0.49868372 1.0 K K2 1 0.02450859 0.99934365 0.49910121 1.0 K K3 1 0.97549141 0.50065635 0.00089879 1.0 Ti Ti4 1 0.00148663 0.00744098 0.24916131 1.0 Ti Ti5 1 0.00117216 0.00018967 0.75044301 1.0 Ti Ti6 1 0.99851337 0.49255902 0.25083869 1.0 Ti Ti7 1 0.99882784 0.49981033 0.74955699 1.0 Ti Ti8 1 0.50000000 0.75000000 0.75000000 1.0 Ti Ti9 1 0.50000000 0.75000000 0.25000000 1.0 Ti Ti10 1 0.50000000 0.25000000 0.75000000 1.0 V V11 1 0.50000000 0.25000000 0.25000000 1.0 Se Se12 1 0.83521218 0.24891887 0.34440228 1.0 Se Se13 1 0.83297379 0.75022683 0.65651964 1.0 Se Se14 1 0.16735075 0.74967768 0.15805074 1.0 Se Se15 1 0.16700432 0.25034393 0.84355894 1.0 Se Se16 1 0.16478782 0.25108113 0.15559772 1.0 Se Se17 1 0.16702621 0.74977317 0.84348036 1.0 Se Se18 1 0.83264925 0.75032232 0.34194926 1.0 Se Se19 1 0.83299568 0.24965607 0.65644106 1.0 Se Se20 1 0.67200582 0.99739763 0.15777796 1.0 Se Se21 1 0.67045083 0.00007602 0.84272982 1.0 Se Se22 1 0.32799418 0.50260237 0.34222204 1.0 Se Se23 1 0.32954917 0.49992398 0.65727018 1.0 Se Se24 1 0.33540904 0.99800912 0.34152848 1.0 Se Se25 1 0.33621391 0.99998097 0.65768725 1.0 Se Se26 1 0.66459096 0.50199088 0.15847152 1.0 Se Se27 1 0.66378609 0.50001903 0.84231275 1.0