data_[Nb16Sn24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.9115]
_cell_length_b [20.4164]
_cell_length_c [7.1400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nb2Sn3]
_chemical_formula_sum '[Nb16 Sn24]'
_cell_volume [861.7344]
_cell_formula_units_Z [8]
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  8  0.0000  0.0781  0.5583  1
  Nb  Nb1  8  0.2500  0.1674  0.2500  1
  Sn  Sn2  8  0.0000  0.1227  0.9265  1
  Sn  Sn3  8  0.0000  0.2214  0.5777  1
  Sn  Sn4  8  0.2500  0.0245  0.2500  1
]