data_[Li2Nb2Se3O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3517]
_cell_length_b [3.3517]
_cell_length_c [13.2584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Li2Nb2Se3O]
_chemical_formula_sum '[Li2 Nb2 Se3 O1]'
_cell_volume [128.9885]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.5058  1
  Li  Li1  1  0.3333  0.6667  0.9770  1
  Nb  Nb2  1  0.3333  0.6667  0.2440  1
  Nb  Nb3  1  0.3333  0.6667  0.7731  1
  Se  Se4  1  0.0000  0.0000  0.6438  1
  Se  Se5  1  0.6667  0.3333  0.1135  1
  Se  Se6  1  0.6667  0.3333  0.3749  1
  O  O7  1  0.0000  0.0000  0.8678  1
]