data_[Cd8C24N8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.9364]
_cell_length_b [7.3876]
_cell_length_c [15.8126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CdC3NCl3]
_chemical_formula_sum '[Cd8 C24 N8 Cl24]'
_cell_volume [1744.8417]
_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
[
  Cd  Cd0  8  0.2436  0.5482  0.3499  1
  C  C1  8  0.0624  0.6603  0.1106  1
  C  C2  8  0.0716  0.6605  0.5936  1
  C  C3  4  0.0472  0.7500  0.7549  1
  C  C4  4  0.2300  0.7500  0.0742  1
  N  N5  4  0.0593  0.7500  0.6808  1
  N  N6  4  0.1520  0.7500  0.0890  1
  Cl  Cl7  4  0.0416  0.7500  0.8556  1
  Cl  Cl8  4  0.1067  0.7500  0.3347  1
  Cl  Cl9  4  0.1549  0.2500  0.7573  1
  Cl  Cl10  4  0.1745  0.2500  0.5285  1
  Cl  Cl11  4  0.2094  0.2500  0.9752  1
  Cl  Cl12  4  0.2172  0.2500  0.2839  1
]