data_[Cs2Cu4Cl12]
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 [C2/m]
_cell_length_a [15.3959]
_cell_length_b [4.4265]
_cell_length_c [10.3676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.2176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(CuCl3)2]
_chemical_formula_sum '[Cs2 Cu4 Cl12]'
_cell_volume [539.5179]
_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  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  4  0.1491  0.0000  0.1105  1.0
  Cl  Cl2  4  0.0022  0.0000  0.1610  1.0
  Cl  Cl3  4  0.1891  0.5000  0.0917  1.0
  Cl  Cl4  4  0.2114  0.5000  0.6167  1.0
]