data_[Cs4Cd4Sn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  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 [10.0310]
_cell_length_b [13.4366]
_cell_length_c [10.9185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsCdSnBr5]
_chemical_formula_sum '[Cs4 Cd4 Sn4 Br20]'
_cell_volume [1349.2160]
_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  0.0000  0.3437  0.2500  1.0
  Cd  Cd1  4  0.0000  0.3135  0.7500  1.0
  Sn  Sn2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1089  0.2087  0.6059  1.0
  Br  Br4  8  0.1876  0.4311  0.9368  1.0
  Br  Br5  4  0.0000  0.0757  0.2500  1.0
]