data_[Cs16Ag4Br2]
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 [C2/m]
_cell_length_a [30.7690]
_cell_length_b [5.1756]
_cell_length_c [10.7115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs8Ag2Br]
_chemical_formula_sum '[Cs16 Ag4 Br2]'
_cell_volume [1705.7308]
_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  4  0.0127  0.0000  0.2427  1
  Cs  Cs1  4  0.1191  0.5000  0.9860  1
  Cs  Cs2  4  0.1234  0.5000  0.5027  1
  Cs  Cs3  4  0.2443  0.5000  0.2429  1
  Ag  Ag4  4  0.1433  0.0000  0.2393  1
  Br  Br5  2  0.0000  0.5000  0.0000  1
]