data_[Cd12Se8Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [9.1160]
_cell_length_b [9.1160]
_cell_length_c [9.1160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [Cd3(SeCl)2]
_chemical_formula_sum '[Cd12 Se8 Cl8]'
_cell_volume [757.5439]
_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
[
  Cd  Cd0  12  0.0000  0.2500  0.9119  1
  Se  Se1  8  0.0261  0.4739  0.5261  1
  Cl  Cl2  8  0.2332  0.2332  0.2332  1
]