data_[K2Cu8F16]
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 [C2/m]
_cell_length_a [12.1169]
_cell_length_b [5.9708]
_cell_length_c [7.9498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCu4F8]
_chemical_formula_sum '[K2 Cu8 F16]'
_cell_volume [448.0737]
_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  0.5000  0.5000  1
  Cu  Cu1  4  0.0000  0.2495  0.0000  1
  Cu  Cu2  4  0.2355  0.0000  0.9777  1
  F  F3  8  0.2311  0.2587  0.8197  1
  F  F4  4  0.0010  0.0000  0.1641  1
  F  F5  4  0.0019  0.5000  0.1643  1
]