data_[Cs10Nb4S8Br18]
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
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [7.7809]
_cell_length_b [11.2054]
_cell_length_c [17.0990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cs5Nb2S4Br9]
_chemical_formula_sum '[Cs10 Nb4 S8 Br18]'
_cell_volume [1490.8338]
_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  8  0.0000  0.2243  0.3376  1.0
  Cs  Cs1  2  0.0000  0.5000  0.0000  1.0
  Nb  Nb2  4  0.0000  0.0000  0.0860  1.0
  S  S3  8  0.2272  0.0900  0.0000  1.0
  Br  Br4  8  0.0000  0.2444  0.1265  1.0
  Br  Br5  8  0.2390  0.0000  0.2026  1.0
  Br  Br6  2  0.0000  0.0000  0.5000  1.0
]