data_[K8Cl4F28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1578]
_cell_length_b [6.4593]
_cell_length_c [9.6814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.9797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2ClF7]
_chemical_formula_sum '[K8 Cl4 F28]'
_cell_volume [647.7217]
_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  8  0.1467  0.3563  0.0541  1
  Cl  Cl1  4  0.0000  0.1933  0.2500  1
  F  F2  8  0.0825  0.4710  0.2427  1
  F  F3  8  0.0981  0.1869  0.4983  1
  F  F4  8  0.1464  0.1178  0.2895  1
  F  F5  4  0.0000  0.0961  0.7500  1
]