data_[Na8Cd4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9817]
_cell_length_b [5.4652]
_cell_length_c [10.2106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2CdSe2]
_chemical_formula_sum '[Na8 Cd4 Se8]'
_cell_volume [681.9880]
_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
[
  Na  Na0  4  0.0527  0.0000  0.7351  1.0
  Na  Na1  4  0.1723  0.5000  0.5084  1.0
  Cd  Cd2  4  0.1328  0.5000  0.1443  1.0
  Se  Se3  4  0.0390  0.5000  0.8345  1.0
  Se  Se4  4  0.1742  0.0000  0.5952  1.0
]