data_[Na8Nb2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.2269]
_cell_length_b [9.2269]
_cell_length_c [6.1627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Na4NbSe5]
_chemical_formula_sum '[Na8 Nb2 Se10]'
_cell_volume [524.6684]
_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
[
  Na  Na0  8  0.0885  0.6980  0.4947  1
  Nb  Nb1  2  0.0000  0.0000  0.0912  1
  Se  Se2  8  0.0825  0.7441  0.9895  1
  Se  Se3  2  0.0000  0.0000  0.4822  1
]