data_[Nb16Ga4Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.5554]
_cell_length_b [10.5554]
_cell_length_c [10.5554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Nb4GaSe8]
_chemical_formula_sum '[Nb16 Ga4 Se32]'
_cell_volume [1176.0314]
_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  0.1028  0.1028  0.6028  1.0
  Ga  Ga1  4  0.0000  0.0000  0.0000  1.0
  Se  Se2  16  0.1347  0.1347  0.3653  1.0
  Se  Se3  16  0.1352  0.1352  0.8648  1.0
]