data_[K2S2O4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7090]
_cell_length_b [5.8160]
_cell_length_c [7.1513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSO2F]
_chemical_formula_sum '[K2 S2 O4 F2]'
_cell_volume [185.9026]
_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  0.1565  0.7500  0.2894  1.0
  S  S1  2  0.3994  0.7500  0.8154  1.0
  O  O2  4  0.3345  0.5398  0.6924  1.0
  F  F3  2  0.1910  0.2500  0.1170  1.0
]