data_[Nb4Sn4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0030]
_cell_length_b [15.6874]
_cell_length_c [5.8687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NbSnCl4]
_chemical_formula_sum '[Nb4 Sn4 Cl16]'
_cell_volume [715.9417]
_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  4  0.0000  0.0435  0.2500  1
  Sn  Sn1  4  0.0000  0.4562  0.7500  1
  Cl  Cl2  8  0.1914  0.0684  0.6520  1
  Cl  Cl3  8  0.2022  0.1511  0.1591  1
]