data_[K4Cu8Cl12]
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 [C2/m]
_cell_length_a [22.0221]
_cell_length_b [4.0038]
_cell_length_c [6.7244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCu2Cl3]
_chemical_formula_sum '[K4 Cu8 Cl12]'
_cell_volume [583.4865]
_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  0.1332  0.5000  0.4473  1.0
  Cu  Cu1  4  0.0541  0.0000  0.9545  1.0
  Cu  Cu2  4  0.2138  0.5000  0.0139  1.0
  Cl  Cl3  4  0.0369  0.0000  0.2851  1.0
  Cl  Cl4  4  0.1093  0.5000  0.9009  1.0
  Cl  Cl5  4  0.2300  0.0000  0.2448  1.0
]