data_[K2Cu2F8]
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 [P2_1/c]
_cell_length_a [5.8452]
_cell_length_b [4.8592]
_cell_length_c [7.1204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KCuF4]
_chemical_formula_sum '[K2 Cu2 F8]'
_cell_volume [189.8706]
_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  0.5000  0.0000  0.5000  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  F  F2  4  0.0031  0.7088  0.8474  1
  F  F3  4  0.3259  0.5008  0.5981  1
]