data_[Li4Nb4Se4O20]
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 [C2/c]
_cell_length_a [7.7389]
_cell_length_b [8.0546]
_cell_length_c [7.7952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiNbSeO5]
_chemical_formula_sum '[Li4 Nb4 Se4 O20]'
_cell_volume [427.2323]
_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  4  0.0000  0.0558  0.7500  1
  Nb  Nb1  4  0.2500  0.2500  0.5000  1
  Se  Se2  4  0.0000  0.4159  0.7500  1
  O  O3  8  0.0903  0.2632  0.6547  1
  O  O4  8  0.2439  0.0047  0.5075  1
  O  O5  4  0.0000  0.2463  0.2500  1
]