data_[K2Li2Se2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P31c]
_cell_length_a [5.1784]
_cell_length_b [5.1784]
_cell_length_c [8.9481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [159]
_chemical_formula_structural [KLiSeO4]
_chemical_formula_sum '[K2 Li2 Se2 O8]'
_cell_volume [207.8007]
_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  0.4968  1
  Li  Li1  2  0.3333  0.6667  0.6894  1
  Se  Se2  2  0.3333  0.6667  0.2934  1
  O  O3  6  0.0364  0.6835  0.2358  1
  O  O4  2  0.3333  0.6667  0.4789  1
]