data_[Cs4Nb2Se2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nb  1.6000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.7675]
_cell_length_b [7.7675]
_cell_length_c [11.2661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs2NbSeBr5]
_chemical_formula_sum '[Cs4 Nb2 Se2 Br10]'
_cell_volume [679.7356]
_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  4  0.0000  0.5000  0.2470  1.0
  Nb  Nb1  2  0.0000  0.0000  0.0208  1.0
  Se  Se2  2  0.0000  0.0000  0.2289  1.0
  Br  Br3  8  0.2359  0.2359  0.9963  1.0
  Br  Br4  2  0.0000  0.0000  0.7710  1.0
]