data_[Ce2Cd2In2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1504]
_cell_length_b [4.3867]
_cell_length_c [10.7644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeCdInSe3]
_chemical_formula_sum '[Ce2 Cd2 In2 Se6]'
_cell_volume [373.0795]
_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
[
  Ce  Ce0  2  0.2116  0.2500  0.1268  1
  Cd  Cd1  2  0.4299  0.7500  0.3878  1
  In  In2  2  0.2151  0.7500  0.7118  1
  Se  Se3  2  0.0386  0.2500  0.8507  1
  Se  Se4  2  0.2580  0.2500  0.4332  1
  Se  Se5  2  0.4702  0.7500  0.1506  1
]