data_[Cs8K4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4344]
_cell_length_b [20.1924]
_cell_length_c [15.0073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2KCuCl5]
_chemical_formula_sum '[Cs8 K4 Cu4 Cl20]'
_cell_volume [1343.7615]
_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  4  0.0000  0.1297  0.6905  1.0
  Cs  Cs1  4  0.0000  0.1384  0.3515  1.0
  K  K2  4  0.0000  0.1941  0.0539  1.0
  Cu  Cu3  4  0.0000  0.4357  0.3875  1.0
  Cl  Cl4  4  0.0000  0.0448  0.9416  1.0
  Cl  Cl5  4  0.0000  0.2992  0.6945  1.0
  Cl  Cl6  4  0.0000  0.3265  0.4007  1.0
  Cl  Cl7  4  0.0000  0.3448  0.0261  1.0
  Cl  Cl8  4  0.0000  0.4925  0.7776  1.0
]