data_[Cs2Li4Nb2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5175]
_cell_length_b [7.4468]
_cell_length_c [9.5438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsLi2NbCl8]
_chemical_formula_sum '[Cs2 Li4 Nb2 Cl16]'
_cell_volume [739.3938]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1.0
  Li  Li1  4  0.0002  0.5000  0.3426  1.0
  Nb  Nb2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0347  0.2297  0.1799  1.0
  Cl  Cl4  4  0.1662  0.5000  0.5282  1.0
  Cl  Cl5  4  0.2199  0.0000  0.9861  1.0
]