data_[Cs8Ag4Br12]
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 [Cmc2_1]
_cell_length_a [13.5071]
_cell_length_b [9.2382]
_cell_length_c [8.1254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2AgBr3]
_chemical_formula_sum '[Cs8 Ag4 Br12]'
_cell_volume [1013.8937]
_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  8  0.1633  0.3275  0.2316  1.0
  Ag  Ag1  4  0.0000  0.0949  0.7494  1.0
  Br  Br2  8  0.1422  0.0159  0.4990  1.0
  Br  Br3  4  0.0000  0.3774  0.8574  1.0
]