data_[Cs8Cd4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5351]
_cell_length_b [22.7243]
_cell_length_c [8.1377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2CdSe2]
_chemical_formula_sum '[Cs8 Cd4 Se8]'
_cell_volume [838.6534]
_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  0.0282  0.2034  1.0
  Cs  Cs1  4  0.0000  0.1962  0.9862  1.0
  Cd  Cd2  4  0.0000  0.3695  0.1042  1.0
  Se  Se3  4  0.0000  0.1673  0.4588  1.0
  Se  Se4  4  0.0000  0.4221  0.3818  1.0
]