# generated using pymatgen data_K2NbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93987664 _cell_length_b 6.84766566 _cell_length_c 10.48052084 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.03374798 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NbCl6 _chemical_formula_sum 'K4 Nb2 Cl12' _cell_volume 498.05475269 _cell_formula_units_Z 2 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 0.50000000 -0.00000000 0.75013569 1.0 K K1 1 -0.00000000 0.50000000 0.74988866 1.0 K K2 1 0.50000000 -0.00000000 0.24986431 1.0 K K3 1 -0.00000000 0.50000000 0.25011134 1.0 Nb Nb4 1 -0.00000000 -0.00000000 0.00000000 1.0 Nb Nb5 1 0.50000000 0.50000000 0.50000000 1.0 Cl Cl6 1 0.50000000 0.50000000 0.73488233 1.0 Cl Cl7 1 -0.00000000 -0.00000000 0.76512126 1.0 Cl Cl8 1 0.69737394 0.20859353 0.50000000 1.0 Cl Cl9 1 0.50000000 0.50000000 0.26511767 1.0 Cl Cl10 1 0.80245423 0.70853933 0.00000000 1.0 Cl Cl11 1 0.19754577 0.29146067 0.00000000 1.0 Cl Cl12 1 0.70870570 0.19445898 0.00000000 1.0 Cl Cl13 1 0.20859747 0.30543910 0.50000000 1.0 Cl Cl14 1 0.29129430 0.80554102 0.00000000 1.0 Cl Cl15 1 0.30262606 0.79140647 0.50000000 1.0 Cl Cl16 1 0.79140253 0.69456090 0.50000000 1.0 Cl Cl17 1 -0.00000000 -0.00000000 0.23487874 1.0