data_[Cs16Ag8Se32Br8]
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
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.8352]
_cell_length_b [12.0905]
_cell_length_c [22.2993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Cs2AgSe4Br]
_chemical_formula_sum '[Cs16 Ag8 Se32 Br8]'
_cell_volume [2112.4395]
_cell_formula_units_Z [8]
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  16  0.0000  0.0000  0.1812  1
  Ag  Ag1  8  0.0000  0.0000  0.5000  1
  Se  Se2  32  0.0532  0.1313  0.6705  1
  Br  Br3  8  0.0000  0.0000  0.0000  1
]