data_[Cs4Li4Cu4Cl12]
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 [C2/m]
_cell_length_a [13.1782]
_cell_length_b [7.4684]
_cell_length_c [7.7724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsLiCuCl3]
_chemical_formula_sum '[Cs4 Li4 Cu4 Cl12]'
_cell_volume [700.1206]
_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  0.2156  0.5000  0.1890  1.0
  Li  Li1  4  0.0830  0.0000  0.2561  1.0
  Cu  Cu2  4  0.0000  0.3071  0.5000  1.0
  Cl  Cl3  8  0.0246  0.2532  0.7867  1.0
  Cl  Cl4  4  0.2346  0.5000  0.6600  1.0
]