data_[Nb2Cd2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.4877]
_cell_length_b [3.4436]
_cell_length_c [19.0036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NbCdCl4]
_chemical_formula_sum '[Nb2 Cd2 Cl8]'
_cell_volume [817.1965]
_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
[
  Nb  Nb0  2  0.1556  0.7500  0.4930  1
  Cd  Cd1  2  0.3596  0.2500  0.5051  1
  Cl  Cl2  2  0.0536  0.2500  0.5653  1
  Cl  Cl3  2  0.1644  0.2500  0.3947  1
  Cl  Cl4  2  0.2689  0.7500  0.6047  1
  Cl  Cl5  2  0.4603  0.7500  0.4199  1
]