data_[Li4Se4O14]
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 [7.1450]
_cell_length_b [8.6411]
_cell_length_c [4.8558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Se2O7]
_chemical_formula_sum '[Li4 Se4 O14]'
_cell_volume [286.0855]
_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  4  0.0000  0.3119  0.5000  1.0
  Se  Se1  4  0.2228  0.0000  0.9046  1.0
  O  O2  8  0.2171  0.1592  0.7169  1.0
  O  O3  4  0.1069  0.5000  0.7783  1.0
  O  O4  2  0.0000  0.0000  0.0000  1.0
]