data_[Cs8Sn8Br24]
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/c]
_cell_length_a [16.7226]
_cell_length_b [12.9994]
_cell_length_c [8.6460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsSnBr3]
_chemical_formula_sum '[Cs8 Sn8 Br24]'
_cell_volume [1863.8048]
_cell_formula_units_Z [8]
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  0.0958  0.2500  1.0
  Cs  Cs1  4  0.0000  0.3202  0.7500  1.0
  Sn  Sn2  8  0.2408  0.4143  0.1308  1.0
  Br  Br3  8  0.1274  0.1140  0.6216  1.0
  Br  Br4  8  0.1360  0.4661  0.3488  1.0
  Br  Br5  8  0.1544  0.2311  0.0852  1.0
]