data_[Cu2Cl6]
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 [6.2544]
_cell_length_b [6.2726]
_cell_length_c [6.5550]
_cell_angle_alpha [64.2992]
_cell_angle_beta [89.9350]
_cell_angle_gamma [74.2959]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuCl3]
_chemical_formula_sum '[Cu2 Cl6]'
_cell_volume [221.0573]
_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
[
  Cu  Cu0  2  0.3362  0.3337  0.0041  1.0
  Cl  Cl1  2  0.1285  0.1605  0.2418  1.0
  Cl  Cl2  2  0.2442  0.2118  0.7677  1.0
  Cl  Cl3  2  0.4469  0.4745  0.2301  1.0
]