data_[K2Se4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0203]
_cell_length_b [7.8451]
_cell_length_c [4.5469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(SeF4)2]
_chemical_formula_sum '[K2 Se4 F16]'
_cell_volume [391.3667]
_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
  Se  Se1  4  0.1183  0.5000  0.2555  1
  F  F2  8  0.1244  0.2606  0.2536  1
  F  F3  4  0.1084  0.5000  0.7206  1
  F  F4  4  0.2209  0.0000  0.7460  1
]