data_[K1Cu1Cl2]
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 [Pm]
_cell_length_a [4.2995]
_cell_length_b [4.0173]
_cell_length_c [6.7017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KCuCl2]
_chemical_formula_sum '[K1 Cu1 Cl2]'
_cell_volume [115.6013]
_cell_formula_units_Z [1]
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  1  0.7578  0.5000  0.0540  1.0
  Cu  Cu1  1  0.2433  0.0000  0.5420  1.0
  Cl  Cl2  1  0.2299  0.5000  0.6969  1.0
  Cl  Cl3  1  0.2690  0.0000  0.2070  1.0
]