data_[K2Se2F6]
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 [P-1]
_cell_length_a [4.0530]
_cell_length_b [6.6414]
_cell_length_c [7.3656]
_cell_angle_alpha [72.3798]
_cell_angle_beta [81.5907]
_cell_angle_gamma [89.8644]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSeF3]
_chemical_formula_sum '[K2 Se2 F6]'
_cell_volume [186.7484]
_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  0.3255  0.8062  0.3102  1
  Se  Se1  2  0.0330  0.3545  0.1530  1
  F  F2  2  0.1894  0.4902  0.6743  1
  F  F3  2  0.1950  0.9042  0.6630  1
  F  F4  2  0.2326  0.1727  0.0115  1
]