data_[K4Cu4F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6021]
_cell_length_b [3.5736]
_cell_length_c [11.9678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KCuF2]
_chemical_formula_sum '[K4 Cu4 F8]'
_cell_volume [282.3643]
_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  0.0169  0.2500  0.1539  1.0
  Cu  Cu1  4  0.0370  0.7500  0.4146  1.0
  F  F2  4  0.1761  0.2500  0.6863  1.0
  F  F3  4  0.1991  0.2500  0.9618  1.0
]