data_[Cs4Sn4Br12]
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 [P2_1/c]
_cell_length_a [9.3728]
_cell_length_b [8.1043]
_cell_length_c [12.6117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsSnBr3]
_chemical_formula_sum '[Cs4 Sn4 Br12]'
_cell_volume [885.2444]
_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  0.3251  0.2159  0.8256  1.0
  Sn  Sn1  4  0.0921  0.7256  0.0183  1.0
  Br  Br2  4  0.0880  0.6871  0.2310  1.0
  Br  Br3  4  0.2731  0.5004  0.5737  1.0
  Br  Br4  4  0.3295  0.5092  0.0645  1.0
]