data_[Cs2Cu2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3873]
_cell_length_b [7.6807]
_cell_length_c [17.6268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsCuCl3]
_chemical_formula_sum '[Cs2 Cu2 Cl6]'
_cell_volume [1270.9146]
_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
[
  Cs  Cs0  2  0.2867  0.5000  0.4444  1
  Cu  Cu1  2  0.1260  0.0000  0.5285  1
  Cl  Cl2  4  0.0740  0.2619  0.5587  1
  Cl  Cl3  2  0.1995  0.0000  0.4097  1
]