data_[Cs4Nb4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [12.6432]
_cell_length_b [6.7615]
_cell_length_c [12.8098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsNbCl6]
_chemical_formula_sum '[Cs4 Nb4 Cl24]'
_cell_volume [1068.7384]
_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
[
  Cs  Cs0  4  0.0000  0.1159  0.7500  1.0
  Nb  Nb1  4  0.2500  0.2500  0.5000  1.0
  Cl  Cl2  8  0.0857  0.3809  0.3951  1.0
  Cl  Cl3  8  0.1538  0.0357  0.0370  1.0
  Cl  Cl4  8  0.2146  0.4097  0.6551  1.0
]