data_[Cs1Nb1In2Cl8]
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
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3032]
_cell_length_b [7.6606]
_cell_length_c [9.5199]
_cell_angle_alpha [91.5432]
_cell_angle_beta [93.2167]
_cell_angle_gamma [112.1192]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNb(InCl4)2]
_chemical_formula_sum '[Cs1 Nb1 In2 Cl8]'
_cell_volume [424.6035]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Nb  Nb1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.4907  0.4959  0.2689  1.0
  Cl  Cl3  2  0.0254  0.7837  0.8178  1.0
  Cl  Cl4  2  0.0584  0.7999  0.1749  1.0
  Cl  Cl5  2  0.4005  0.1807  0.0057  1.0
  Cl  Cl6  2  0.4172  0.7012  0.5070  1.0
]