data_[Cs8Li4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  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 [4.2125]
_cell_length_b [20.3605]
_cell_length_c [14.0932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2LiCuCl5]
_chemical_formula_sum '[Cs8 Li4 Cu4 Cl20]'
_cell_volume [1208.7415]
_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  0.1275  0.6910  1
  Cs  Cs1  4  0.0000  0.1405  0.3284  1
  Li  Li2  4  0.0000  0.2231  0.0600  1
  Cu  Cu3  4  0.0000  0.4247  0.4107  1
  Cl  Cl4  4  0.0000  0.0600  0.9764  1
  Cl  Cl5  4  0.0000  0.2971  0.6500  1
  Cl  Cl6  4  0.0000  0.3163  0.3946  1
  Cl  Cl7  4  0.0000  0.3340  0.0153  1
  Cl  Cl8  4  0.0000  0.4987  0.7976  1
]