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 [C2/m]
_cell_length_a [13.5434]
_cell_length_b [3.3072]
_cell_length_c [9.4787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.5789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuCl2]
_chemical_formula_sum '[Cu4 Cl8]'
_cell_volume [327.2261]
_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  4  0.2062  0.0000  0.7677  1.0
  Cl  Cl1  4  0.0960  0.5000  0.7801  1.0
  Cl  Cl2  4  0.1911  0.0000  0.2554  1.0
]