data_[Cs10Ag2Br16]
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 [I-4]
_cell_length_a [10.5291]
_cell_length_b [10.5291]
_cell_length_c [11.9218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Cs5AgBr8]
_chemical_formula_sum '[Cs10 Ag2 Br16]'
_cell_volume [1321.6733]
_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  8  0.1362  0.7212  0.1082  1.0
  Cs  Cs1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.0000  0.5000  0.7500  1.0
  Br  Br3  8  0.0578  0.7310  0.7780  1.0
  Br  Br4  8  0.1136  0.6917  0.4097  1.0
]