data_[Cs4Cd4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1731]
_cell_length_b [10.8898]
_cell_length_c [5.5763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCdBr3]
_chemical_formula_sum '[Cs4 Cd4 Br12]'
_cell_volume [860.6058]
_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  0.2114  0.0000  0.2437  1.0
  Cd  Cd1  4  0.0000  0.3265  0.5000  1.0
  Br  Br2  8  0.1272  0.2054  0.7391  1.0
  Br  Br3  4  0.1002  0.5000  0.2619  1.0
]