# generated using pymatgen data_K(Nb2Cl5)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 18.05772910 _cell_length_b 9.43209218 _cell_length_c 13.53681645 _cell_angle_alpha 89.95501684 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K(Nb2Cl5)4 _chemical_formula_sum 'K3 Nb24 Cl60' _cell_volume 2305.61917997 _cell_formula_units_Z 3 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 0.32303282 0.25394510 1.0 K K1 1 0.50000000 0.32338338 0.74627025 1.0 K K2 1 -0.00000000 0.67743717 0.74542494 1.0 Nb Nb3 1 0.21993916 0.35426986 0.39108601 1.0 Nb Nb4 1 0.27813382 0.64732235 0.39080751 1.0 Nb Nb5 1 0.78006084 0.35426986 0.39108601 1.0 Nb Nb6 1 0.72186618 0.64732235 0.39080751 1.0 Nb Nb7 1 0.27856106 0.64634071 0.60856649 1.0 Nb Nb8 1 0.22056654 0.35408869 0.60854760 1.0 Nb Nb9 1 0.72143894 0.64634071 0.60856649 1.0 Nb Nb10 1 0.77943346 0.35408869 0.60854760 1.0 Nb Nb11 1 -0.00000000 0.94569337 0.00145249 1.0 Nb Nb12 1 0.50000000 0.05045891 0.99983373 1.0 Nb Nb13 1 0.08261438 0.16524041 0.11078102 1.0 Nb Nb14 1 0.41812202 0.83416657 0.10919460 1.0 Nb Nb15 1 0.91738562 0.16524041 0.11078102 1.0 Nb Nb16 1 0.58187798 0.83416657 0.10919460 1.0 Nb Nb17 1 0.41815015 0.83417164 0.89066281 1.0 Nb Nb18 1 0.08225792 0.16538828 0.89051536 1.0 Nb Nb19 1 0.58184985 0.83417164 0.89066281 1.0 Nb Nb20 1 0.91774208 0.16538828 0.89051536 1.0 Nb Nb21 1 0.35544007 0.42150712 0.49967616 1.0 Nb Nb22 1 0.14246913 0.57976565 0.49922398 1.0 Nb Nb23 1 0.64455993 0.42150712 0.49967616 1.0 Nb Nb24 1 0.85753087 0.57976565 0.49922398 1.0 Nb Nb25 1 -0.00000000 0.38318994 0.00100713 1.0 Nb Nb26 1 0.50000000 0.61949940 0.00001798 1.0 Cl Cl27 1 -0.00000000 0.15825512 0.25431683 1.0 Cl Cl28 1 0.50000000 0.84347237 0.25479880 1.0 Cl Cl29 1 0.50000000 0.84347023 0.74501781 1.0 Cl Cl30 1 -0.00000000 0.15613249 0.74579627 1.0 Cl Cl31 1 0.24973250 0.50013010 0.24611878 1.0 Cl Cl32 1 0.75026750 0.50013010 0.24611878 1.0 Cl Cl33 1 0.24980209 0.49982737 0.75394251 1.0 Cl Cl34 1 0.75019791 0.49982737 0.75394251 1.0 Cl Cl35 1 0.34250203 0.23436290 0.37213993 1.0 Cl Cl36 1 0.15691126 0.76495696 0.37261280 1.0 Cl Cl37 1 0.65749797 0.23436290 0.37213993 1.0 Cl Cl38 1 0.84308874 0.76495696 0.37261280 1.0 Cl Cl39 1 0.15673282 0.76595029 0.62782120 1.0 Cl Cl40 1 0.34281753 0.23431046 0.62763520 1.0 Cl Cl41 1 0.84326718 0.76595029 0.62782120 1.0 Cl Cl42 1 0.65718247 0.23431046 0.62763520 1.0 Cl Cl43 1 -0.00000000 0.66511076 0.99308945 1.0 Cl Cl44 1 0.50000000 0.33399341 -0.00005946 1.0 Cl Cl45 1 0.09003710 0.42284237 0.37428056 1.0 Cl Cl46 1 0.40955032 0.57920763 0.37472801 1.0 Cl Cl47 1 0.90996290 0.42284237 0.37428056 1.0 Cl Cl48 1 0.59044968 0.57920763 0.37472801 1.0 Cl Cl49 1 0.40971568 0.57858990 0.62493199 1.0 Cl Cl50 1 0.08975305 0.42072807 0.62519249 1.0 Cl Cl51 1 0.59028432 0.57858990 0.62493199 1.0 Cl Cl52 1 0.91024695 0.42072807 0.62519249 1.0 Cl Cl53 1 0.18109556 0.15808986 0.50013372 1.0 Cl Cl54 1 0.31835752 0.84207854 0.49996580 1.0 Cl Cl55 1 0.81890444 0.15808986 0.50013372 1.0 Cl Cl56 1 0.68164248 0.84207854 0.49996580 1.0 Cl Cl57 1 0.19099848 0.16637446 0.00013464 1.0 Cl Cl58 1 0.30873034 0.83250297 0.99987431 1.0 Cl Cl59 1 0.80900152 0.16637446 0.00013464 1.0 Cl Cl60 1 0.69126966 0.83250297 0.99987431 1.0 Cl Cl61 1 0.09506290 0.42362987 0.12538791 1.0 Cl Cl62 1 0.40425498 0.57434796 0.12538686 1.0 Cl Cl63 1 0.90493710 0.42362987 0.12538791 1.0 Cl Cl64 1 0.59574502 0.57434796 0.12538686 1.0 Cl Cl65 1 0.40426927 0.57439453 0.87468066 1.0 Cl Cl66 1 0.09550825 0.42407200 0.87465874 1.0 Cl Cl67 1 0.59573073 0.57439453 0.87468066 1.0 Cl Cl68 1 0.90449175 0.42407200 0.87465874 1.0 Cl Cl69 1 -0.00000000 0.68237981 0.50560175 1.0 Cl Cl70 1 0.50000000 0.31715373 0.49967074 1.0 Cl Cl71 1 0.09625569 0.90658174 0.12693676 1.0 Cl Cl72 1 0.40253642 0.09446248 0.12644571 1.0 Cl Cl73 1 0.90374431 0.90658174 0.12693676 1.0 Cl Cl74 1 0.59746358 0.09446248 0.12644571 1.0 Cl Cl75 1 0.40250335 0.09447235 0.87316767 1.0 Cl Cl76 1 0.09752011 0.90602510 0.87411396 1.0 Cl Cl77 1 0.59749665 0.09447235 0.87316767 1.0 Cl Cl78 1 0.90247989 0.90602510 0.87411396 1.0 Cl Cl79 1 0.18507354 0.16622890 0.25041982 1.0 Cl Cl80 1 0.31466820 0.83364507 0.24989519 1.0 Cl Cl81 1 0.81492646 0.16622890 0.25041982 1.0 Cl Cl82 1 0.68533180 0.83364507 0.24989519 1.0 Cl Cl83 1 0.31477891 0.83291854 0.74961705 1.0 Cl Cl84 1 0.18494840 0.16632488 0.75011327 1.0 Cl Cl85 1 0.68522109 0.83291854 0.74961705 1.0 Cl Cl86 1 0.81505160 0.16632488 0.75011327 1.0