data_[Cs2Nb2Cl6]
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 [P-1]
_cell_length_a [5.1985]
_cell_length_b [7.6784]
_cell_length_c [8.7846]
_cell_angle_alpha [69.9885]
_cell_angle_beta [82.4986]
_cell_angle_gamma [88.6000]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNbCl3]
_chemical_formula_sum '[Cs2 Nb2 Cl6]'
_cell_volume [326.5750]
_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
[
  Cs  Cs0  2  0.1880  0.7007  0.1499  1
  Nb  Nb1  2  0.2573  0.0603  0.4257  1
  Cl  Cl2  2  0.1087  0.7252  0.5512  1
  Cl  Cl3  2  0.2550  0.2437  0.1242  1
  Cl  Cl4  2  0.3546  0.0803  0.6929  1
]