data_[K4Nb8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.9074]
_cell_length_b [9.6172]
_cell_length_c [6.3164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K(NbCl3)2]
_chemical_formula_sum '[K4 Nb8 Cl24]'
_cell_volume [953.4457]
_cell_formula_units_Z [4]
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  4  0.0000  0.1935  0.2500  1
  Nb  Nb1  8  0.2452  0.4728  0.2478  1
  Cl  Cl2  8  0.1067  0.0935  0.6983  1
  Cl  Cl3  8  0.1222  0.4989  0.4480  1
  Cl  Cl4  8  0.2099  0.2216  0.2335  1
]