data_[Cs4Ag4Br16]
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/c]
_cell_length_a [13.8497]
_cell_length_b [6.6612]
_cell_length_c [10.6888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsAgBr4]
_chemical_formula_sum '[Cs4 Ag4 Br16]'
_cell_volume [963.1488]
_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  0.2329  0.2500  1.0
  Ag  Ag1  4  0.2500  0.2500  0.0000  1.0
  Br  Br2  8  0.0671  0.2657  0.9224  1.0
  Br  Br3  8  0.2291  0.0263  0.6511  1.0
]