data_[Cu4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5928]
_cell_length_b [7.2921]
_cell_length_c [7.5088]
_cell_angle_alpha [113.2971]
_cell_angle_beta [114.7251]
_cell_angle_gamma [90.5632]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuCl2]
_chemical_formula_sum '[Cu4 Cl8]'
_cell_volume [294.4404]
_cell_formula_units_Z [4]
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
[
  Cu  Cu0  2  0.2415  0.2766  0.2362  1
  Cu  Cu1  2  0.2823  0.5339  0.7801  1
  Cl  Cl2  2  0.1405  0.7881  0.9575  1
  Cl  Cl3  2  0.2195  0.2233  0.5097  1
  Cl  Cl4  2  0.2718  0.3597  0.9804  1
  Cl  Cl5  2  0.3832  0.7159  0.6232  1
]