data_[Na16Cd16Se24]
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/c]
_cell_length_a [16.1562]
_cell_length_b [14.2288]
_cell_length_c [7.6056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2Cd2Se3]
_chemical_formula_sum '[Na16 Cd16 Se24]'
_cell_volume [1543.2683]
_cell_formula_units_Z [8]
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  8  0.1022  0.0820  0.6465  1
  Na  Na1  4  0.0000  0.2769  0.7500  1
  Na  Na2  4  0.0000  0.4238  0.2500  1
  Cd  Cd3  8  0.1793  0.2637  0.2559  1
  Cd  Cd4  8  0.2071  0.4239  0.7995  1
  Se  Se5  8  0.1094  0.1102  0.0330  1
  Se  Se6  8  0.1297  0.2741  0.5502  1
  Se  Se7  8  0.1324  0.4264  0.0527  1
]