data_[Cs8Cu4Cl12]
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/c]
_cell_length_a [12.0269]
_cell_length_b [8.3395]
_cell_length_c [9.4025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2CuCl3]
_chemical_formula_sum '[Cs8 Cu4 Cl12]'
_cell_volume [845.5929]
_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
[
  Cs  Cs0  8  0.1564  0.3008  0.6652  1.0
  Cu  Cu1  4  0.0000  0.1001  0.2500  1.0
  Cl  Cl2  8  0.1469  0.0422  0.9450  1.0
  Cl  Cl3  4  0.0000  0.3676  0.2500  1.0
]