data_[Cs4Ag6Br16]
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 [17.1627]
_cell_length_b [9.0278]
_cell_length_c [6.9465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ag3Br8]
_chemical_formula_sum '[Cs4 Ag6 Br16]'
_cell_volume [1018.1393]
_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  0.2281  0.5000  0.6596  1.0
  Ag  Ag1  4  0.0000  0.2714  0.0000  1.0
  Ag  Ag2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.0879  0.2210  0.3763  1.0
  Br  Br4  4  0.0974  0.0000  0.8665  1.0
  Br  Br5  4  0.1164  0.5000  0.0206  1.0
]