data_[K8Cu8Cl20]
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 [Ima2]
_cell_length_a [20.9957]
_cell_length_b [6.6680]
_cell_length_c [6.6939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [K2Cu2Cl5]
_chemical_formula_sum '[K8 Cu8 Cl20]'
_cell_volume [937.1420]
_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  8  0.1117  0.0060  0.4937  1.0
  Cu  Cu1  4  0.0000  0.0000  0.9909  1.0
  Cu  Cu2  4  0.2500  0.5777  0.5321  1.0
  Cl  Cl3  8  0.0018  0.7494  0.7414  1.0
  Cl  Cl4  8  0.1476  0.0171  0.9778  1.0
  Cl  Cl5  4  0.2500  0.6024  0.8871  1.0
]