data_[K2Cu2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [13.9768]
_cell_length_b [3.9444]
_cell_length_c [4.5203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KCuCl2]
_chemical_formula_sum '[K2 Cu2 Cl4]'
_cell_volume [240.5418]
_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
[
  K  K0  2  0.2762  0.0000  0.1590  1.0
  Cu  Cu1  2  0.0464  0.5000  0.4178  1.0
  Cl  Cl2  2  0.2117  0.5000  0.6075  1.0
  Cl  Cl3  2  0.4657  0.5000  0.3157  1.0
]