data_[Nb20Si4Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.6743]
_cell_length_b [10.6743]
_cell_length_c [5.1692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Nb5SiSn2]
_chemical_formula_sum '[Nb20 Si4 Sn8]'
_cell_volume [588.9804]
_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  0.0696  0.2106  0.0000  1.0
  Nb  Nb1  4  0.0000  0.5000  0.2500  1.0
  Si  Si2  4  0.0000  0.0000  0.2500  1.0
  Sn  Sn3  8  0.1689  0.3311  0.5000  1.0
]