data_[Cd4Cu4Cl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5008]
_cell_length_b [11.7965]
_cell_length_c [6.5730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2Cu2Cl7]
_chemical_formula_sum '[Cd4 Cu4 Cl14]'
_cell_volume [579.3188]
_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  4  0.0000  0.3146  0.5000  1.0
  Cu  Cu1  4  0.2294  0.5000  0.1275  1.0
  Cl  Cl2  8  0.2328  0.1852  0.7284  1.0
  Cl  Cl3  4  0.0717  0.5000  0.7611  1.0
  Cl  Cl4  2  0.0000  0.0000  0.0000  1.0
]