data_[Nb8Cd8Cl28]
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 [C2/c]
_cell_length_a [6.0994]
_cell_length_b [10.5907]
_cell_length_c [19.0469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb2Cd2Cl7]
_chemical_formula_sum '[Nb8 Cd8 Cl28]'
_cell_volume [1227.6891]
_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
[
  Nb  Nb0  8  0.0604  0.3176  0.9994  1
  Cd  Cd1  8  0.1815  0.3716  0.2927  1
  Cl  Cl2  8  0.1615  0.4955  0.5749  1
  Cl  Cl3  8  0.1798  0.1671  0.0908  1
  Cl  Cl4  8  0.1940  0.1670  0.5724  1
  Cl  Cl5  4  0.0000  0.0034  0.2500  1
]