data_[Nb8Cl32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [6.8439]
_cell_length_b [12.2592]
_cell_length_c [12.7723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NbCl4]
_chemical_formula_sum '[Nb8 Cl32]'
_cell_volume [1071.6082]
_cell_formula_units_Z [8]
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  0.2205  0.3762  0.6231  1
  Cl  Cl1  8  0.2449  0.2698  0.7728  1
  Cl  Cl2  8  0.2455  0.4826  0.4735  1
  Cl  Cl3  4  0.0000  0.0106  0.1975  1
  Cl  Cl4  4  0.0000  0.2370  0.0489  1
  Cl  Cl5  4  0.0000  0.2468  0.5381  1
  Cl  Cl6  4  0.0000  0.4942  0.2080  1
]