data_[Na2Cd2Cu2Se4]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.8470]
_cell_length_b [4.9768]
_cell_length_c [7.3294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [NaCdCuSe2]
_chemical_formula_sum '[Na2 Cd2 Cu2 Se4]'
_cell_volume [243.9378]
_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  0.5000  0.1984  0.7500  1.0
  Cd  Cd1  2  0.0000  0.4980  0.2500  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.2621  0.2861  0.0497  1.0
]