data_[Li8Se4O12]
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 [C2/m]
_cell_length_a [5.1807]
_cell_length_b [9.2935]
_cell_length_c [7.3439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2SeO3]
_chemical_formula_sum '[Li8 Se4 O12]'
_cell_volume [352.0540]
_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  0.2062  0.1552  0.1307  1.0
  Se  Se1  4  0.2335  0.5000  0.2785  1.0
  O  O2  8  0.1737  0.1460  0.8511  1.0
  O  O3  4  0.0975  0.5000  0.7588  1.0
]