data_[K2Cu4Cl2F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9041]
_cell_length_b [4.9407]
_cell_length_c [8.0250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCu2ClF2]
_chemical_formula_sum '[K2 Cu4 Cl2 F4]'
_cell_volume [220.4636]
_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  0.3506  0.2500  0.6183  1
  Cu  Cu1  4  0.0565  0.0022  0.1605  1
  Cl  Cl2  2  0.2797  0.7500  0.9593  1
  F  F3  2  0.1233  0.7500  0.3751  1
  F  F4  2  0.3658  0.2500  0.3003  1
]