data_[Cs4Ag4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6959]
_cell_length_b [20.4168]
_cell_length_c [6.0133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsAgBr2]
_chemical_formula_sum '[Cs4 Ag4 Br8]'
_cell_volume [576.5254]
_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
[
  Cs  Cs0  4  0.0000  0.4139  0.2500  1.0
  Ag  Ag1  4  0.0000  0.2013  0.2500  1.0
  Br  Br2  4  0.0000  0.0701  0.2500  1.0
  Br  Br3  4  0.0000  0.2260  0.7500  1.0
]