data_[Cd2Se12Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4255]
_cell_length_b [13.6704]
_cell_length_c [4.2963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd(Se3Br)2]
_chemical_formula_sum '[Cd2 Se12 Br4]'
_cell_volume [551.6878]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.0000  1.0
  Se  Se1  8  0.1201  0.3607  0.1060  1.0
  Se  Se2  4  0.2016  0.5000  0.8327  1.0
  Br  Br3  4  0.0000  0.1377  0.5000  1.0
]