data_[Na2Cd2Bi2Se6]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7526]
_cell_length_b [4.2659]
_cell_length_c [9.7642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaCdBiSe3]
_chemical_formula_sum '[Na2 Cd2 Bi2 Se6]'
_cell_volume [359.0591]
_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
[
  Na  Na0  2  0.1830  0.2500  0.2090  1.0
  Cd  Cd1  2  0.0935  0.2500  0.6026  1.0
  Bi  Bi2  2  0.3387  0.7500  0.8640  1.0
  Se  Se3  2  0.1080  0.2500  0.8783  1.0
  Se  Se4  2  0.2261  0.7500  0.5029  1.0
  Se  Se5  2  0.4179  0.7500  0.1509  1.0
]