data_[K4Nb2Cl12]
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 [P4/mnc]
_cell_length_a [7.0635]
_cell_length_b [7.0635]
_cell_length_c [10.5870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [K2NbCl6]
_chemical_formula_sum '[K4 Nb2 Cl12]'
_cell_volume [528.2170]
_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  4  0.0000  0.5000  0.2500  1.0
  Nb  Nb1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1871  0.2887  0.0000  1.0
  Cl  Cl3  4  0.0000  0.0000  0.2322  1.0
]