data_[K4Cu4Cl8]
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 [Pna2_1]
_cell_length_a [6.3633]
_cell_length_b [10.3306]
_cell_length_c [6.3448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [KCuCl2]
_chemical_formula_sum '[K4 Cu4 Cl8]'
_cell_volume [417.0925]
_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
[
  K  K0  4  0.0072  0.8747  0.4475  1.0
  Cu  Cu1  4  0.0632  0.6252  0.0107  1.0
  Cl  Cl2  4  0.0123  0.5793  0.3752  1.0
  Cl  Cl3  4  0.0757  0.1709  0.4397  1.0
]