data_[Cs4Sn6Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4091]
_cell_length_b [8.9461]
_cell_length_c [7.8344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sn3Br8]
_chemical_formula_sum '[Cs4 Sn6 Br16]'
_cell_volume [1160.7489]
_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  0.2339  0.5000  0.6751  1
  Sn  Sn1  4  0.0000  0.2574  0.0000  1
  Sn  Sn2  2  0.0000  0.0000  0.5000  1
  Br  Br3  8  0.1002  0.2310  0.3884  1
  Br  Br4  4  0.1031  0.0000  0.8919  1
  Br  Br5  4  0.1078  0.5000  0.9663  1
]