data_[Li8Se8O28]
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 [Pnma]
_cell_length_a [13.7054]
_cell_length_b [8.3530]
_cell_length_c [5.0053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Li2Se2O7]
_chemical_formula_sum '[Li8 Se8 O28]'
_cell_volume [573.0114]
_cell_formula_units_Z [4]
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  8  0.1007  0.5661  0.5904  1
  Se  Se1  4  0.0030  0.2500  0.8954  1
  Se  Se2  4  0.2223  0.2500  0.7529  1
  O  O3  8  0.0071  0.5838  0.2792  1
  O  O4  8  0.2085  0.0849  0.5825  1
  O  O5  4  0.0656  0.7500  0.8364  1
  O  O6  4  0.1259  0.2500  0.0191  1
  O  O7  4  0.1812  0.7500  0.4459  1
]