data_[Nb8Se8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.7723]
_cell_length_b [14.7699]
_cell_length_c [12.2406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NbSeCl3]
_chemical_formula_sum '[Nb8 Se8 Cl24]'
_cell_volume [1215.1551]
_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  0.0717  0.0627  0.6464  1.0
  Se  Se1  8  0.1597  0.1925  0.7982  1.0
  Cl  Cl2  8  0.1389  0.0835  0.0362  1.0
  Cl  Cl3  8  0.1456  0.3774  0.4241  1.0
  Cl  Cl4  8  0.2291  0.0293  0.2989  1.0
]