data_[Li4Se2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [5.1665]
_cell_length_b [5.3221]
_cell_length_c [7.0340]
_cell_angle_alpha [75.2661]
_cell_angle_beta [85.7043]
_cell_angle_gamma [60.9699]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2SeO3]
_chemical_formula_sum '[Li4 Se2 O6]'
_cell_volume [163.2806]
_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
[
  Li  Li0  2  0.0201  0.3681  0.8575  1.0
  Li  Li1  2  0.3340  0.7401  0.8598  1.0
  Se  Se2  2  0.3282  0.8873  0.2995  1.0
  O  O3  2  0.0635  0.2279  0.1589  1.0
  O  O4  2  0.3474  0.0986  0.7383  1.0
  O  O5  2  0.3525  0.6509  0.1596  1.0
]