data_[Nb16Bi4Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.8437]
_cell_length_b [10.8437]
_cell_length_c [10.8437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Nb4BiSe8]
_chemical_formula_sum '[Nb16 Bi4 Se32]'
_cell_volume [1275.0645]
_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
[
  Nb  Nb0  16  0.1482  0.1482  0.6482  1.0
  Bi  Bi1  4  0.2500  0.2500  0.2500  1.0
  Se  Se2  16  0.1039  0.1039  0.3961  1.0
  Se  Se3  16  0.1185  0.1185  0.8815  1.0
]