data_[Cd2H12N4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4847]
_cell_length_b [8.3308]
_cell_length_c [4.0576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdH6(NCl)2]
_chemical_formula_sum '[Cd2 H12 N4 Cl4]'
_cell_volume [285.9749]
_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
[
  Cd  Cd0  2  0.0000  0.5000  0.0000  1.0
  H  H1  8  0.1838  0.0987  0.8307  1.0
  H  H2  4  0.1849  0.0000  0.1842  1.0
  N  N3  4  0.2296  0.0000  0.9572  1.0
  Cl  Cl4  4  0.0000  0.2742  0.5000  1.0
]