data_[K2Ac2Cu4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ac  1.1000  1.9500  1.2600
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.8786]
_cell_length_b [5.8786]
_cell_length_c [11.0607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [KAcCu2F8]
_chemical_formula_sum '[K2 Ac2 Cu4 F16]'
_cell_volume [382.2403]
_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  0.0000  0.0000  0.0000  1
  Ac  Ac1  2  0.0000  0.5000  0.2500  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  Cu  Cu3  2  0.0000  0.5000  0.7500  1
  F  F4  8  0.1025  0.2903  0.4457  1
  F  F5  8  0.1462  0.7813  0.7916  1
]