data_[Cs2S2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2114]
_cell_length_b [5.2129]
_cell_length_c [13.7255]
_cell_angle_alpha [91.7810]
_cell_angle_beta [91.6058]
_cell_angle_gamma [91.0186]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsSBr2]
_chemical_formula_sum '[Cs2 S2 Br4]'
_cell_volume [372.4853]
_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  1  0.3890  0.0575  0.4350  1.0
  Cs  Cs1  1  0.8771  0.5433  0.1513  1.0
  S  S2  1  0.6681  0.0415  0.7662  1.0
  S  S3  1  0.9234  0.2873  0.8180  1.0
  Br  Br4  1  0.1501  0.1290  0.9520  1.0
  Br  Br5  1  0.3867  0.0345  0.1674  1.0
  Br  Br6  1  0.8186  0.8024  0.6334  1.0
  Br  Br7  1  0.8983  0.5479  0.4189  1.0
]